# generated using pymatgen
data_MnH3(CN2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84721572
_cell_length_b   7.83701289
_cell_length_c   9.02703082
_cell_angle_alpha   87.02545648
_cell_angle_beta   81.99281412
_cell_angle_gamma   68.05181953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH3(CN2)4
_chemical_formula_sum   'Mn2 H6 C8 N16'
_cell_volume   379.93916323
_cell_formula_units_Z   2
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  0.19041551  0.61894845  -0.00000765  1
  Mn  Mn1  1  0.80958859  0.38104649  1.00000753  1
  H  H2  1  0.93746999  0.70294489  0.34594484  1
  H  H3  1  0.35945997  0.70271244  0.65394846  1
  H  H4  1  0.06252928  0.29705631  0.65405634  1
  H  H5  1  0.64054003  0.29728897  0.34605055  1
  H  H6  1  0.72420192  0.00014718  0.48723840  1
  H  H7  1  0.27579594  0.99985525  0.51276149  1
  C  C8  1  0.90478262  0.83485847  0.29064736  1
  C  C9  1  0.26028750  0.83465177  0.70930063  1
  C  C10  1  0.09521678  0.16514222  0.70935301  1
  C  C11  1  0.73971156  0.16534908  0.29069894  1
  C  C12  1  0.78470863  0.00012471  0.36718554  1
  C  C13  1  0.21529002  0.99987632  0.63281428  1
  C  C14  1  0.94850883  0.00003374  0.07649791  1
  C  C15  1  0.05149085  0.99996487  0.92350198  1
  N  N16  1  0.98452050  0.83406048  0.14131002  1
  N  N17  1  0.18127678  0.83392730  0.85863400  1
  N  N18  1  0.01547893  0.16593834  0.85869033  1
  N  N19  1  0.81872342  0.16607160  0.14136557  1
  N  N20  1  0.07126403  0.42511128  0.12912429  1
  N  N21  1  0.50378364  0.42504943  0.87089555  1
  N  N22  1  0.92874230  0.57488156  0.87087751  1
  N  N23  1  0.49622026  0.57494482  0.12910192  1
  N  N24  1  0.12486368  0.35854316  0.25023031  1
  N  N25  1  0.51666801  0.35844772  0.74982031  1
  N  N26  1  0.87513597  0.64145880  0.74977493  1
  N  N27  1  0.48333411  0.64155437  0.25017410  1
  N  N28  1  0.16706209  0.29726134  0.36746444  1
  N  N29  1  0.53567960  0.29718205  0.63258547  1
  N  N30  1  0.83293059  0.70274482  0.63254291  1
  N  N31  1  0.46432350  0.70282398  0.36740716  1
