# generated using pymatgen
data_MnVH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82331017
_cell_length_b   7.91571022
_cell_length_c   7.87826288
_cell_angle_alpha   121.32579324
_cell_angle_beta   100.27397334
_cell_angle_gamma   100.36114887
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVH12(C2O3)4
_chemical_formula_sum   'Mn1 V1 H12 C8 O12'
_cell_volume   338.32856526
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.47945289  0.14706763  0.85858543  1
  V  V1  1  0.97541368  0.84423180  0.13616971  1
  H  H2  1  0.48741243  0.53175404  0.04168696  1
  H  H3  1  -0.00380306  0.03120197  0.51990360  1
  H  H4  1  0.24485671  0.45544246  0.98623591  1
  H  H5  1  0.75400143  0.98348033  0.43543268  1
  H  H6  1  0.87270240  0.43565631  0.16043031  1
  H  H7  1  0.35283291  0.14963007  0.43447249  1
  H  H8  1  0.83253563  0.20362583  0.10096670  1
  H  H9  1  0.31627833  0.08492815  0.19593519  1
  H  H10  1  0.28135374  0.47378259  0.65416096  1
  H  H11  1  0.78571220  0.65305152  0.47017805  1
  H  H12  1  0.23426344  0.47718280  0.34254442  1
  H  H13  1  0.74340865  0.34386794  0.46968921  1
  C  C14  1  0.25603134  0.76850842  0.87010909  1
  C  C15  1  0.77106568  0.86983305  0.77106808  1
  C  C16  1  0.26104418  0.61007780  0.66046790  1
  C  C17  1  0.77092277  0.65982077  0.60852956  1
  C  C18  1  0.22372535  0.60670404  0.48594662  1
  C  C19  1  0.73399065  0.48520309  0.60256413  1
  C  C20  1  0.15577552  0.75891205  0.45618974  1
  C  C21  1  0.65911657  0.45041958  0.74995584  1
  O  O22  1  0.35373281  0.96369976  0.96883346  1
  O  O23  1  0.86060720  0.95753481  0.97104710  1
  O  O24  1  0.15122616  0.69540208  0.95295104  1
  O  O25  1  0.68663916  0.96558853  0.70747012  1
  O  O26  1  0.18477834  0.94771370  0.60393490  1
  O  O27  1  0.70373885  0.59744242  0.94737711  1
  O  O28  1  0.05766698  0.68522865  0.26155850  1
  O  O29  1  0.54305358  0.26477870  0.67267074  1
  O  O30  1  0.76581295  0.31392371  0.13258560  1
  O  O31  1  0.24471801  0.10932826  0.30444475  1
  O  O32  1  0.37170442  0.42848890  0.03157996  1
  O  O33  1  0.88519840  0.02358442  0.41141468  1
