# generated using pymatgen
data_Mn2Cr13S20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94423659
_cell_length_b   8.10831642
_cell_length_c   8.76805215
_cell_angle_alpha   77.59912358
_cell_angle_beta   75.04541535
_cell_angle_gamma   88.61047969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cr13S20
_chemical_formula_sum   'Mn2 Cr13 S20'
_cell_volume   532.63807343
_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  0.30034000  0.29999900  0.70050500  1
  Mn  Mn1  1  0.69966000  0.70000100  0.29949500  1
  Cr  Cr2  1  0.10084700  0.10134600  0.89909400  1
  Cr  Cr3  1  0.50000000  0.50000000  0.50000000  1
  Cr  Cr4  1  0.89915300  0.89865400  0.10090600  1
  Cr  Cr5  1  0.13455400  0.61959000  0.06491100  1
  Cr  Cr6  1  0.53638400  0.01936100  0.66535500  1
  Cr  Cr7  1  0.93624000  0.41874300  0.26580600  1
  Cr  Cr8  1  0.33492000  0.81864200  0.86575700  1
  Cr  Cr9  1  0.73350100  0.21908100  0.46627100  1
  Cr  Cr10  1  0.06376000  0.58125700  0.73419400  1
  Cr  Cr11  1  0.46361600  0.98063900  0.33464500  1
  Cr  Cr12  1  0.86544600  0.38041000  0.93508900  1
  Cr  Cr13  1  0.26649900  0.78091900  0.53372900  1
  Cr  Cr14  1  0.66508000  0.18135800  0.13424300  1
  S  S15  1  0.19451800  0.48278800  0.50387600  1
  S  S16  1  0.98997800  0.28135300  0.70773300  1
  S  S17  1  0.79714200  0.07809800  0.90550900  1
  S  S18  1  0.59233300  0.88417900  0.10494000  1
  S  S19  1  0.39110900  0.68006300  0.30637600  1
  S  S20  1  0.60889100  0.31993700  0.69362400  1
  S  S21  1  0.40766700  0.11582100  0.89506000  1
  S  S22  1  0.20285800  0.92190200  0.09449100  1
  S  S23  1  0.01002200  0.71864700  0.29226700  1
  S  S24  1  0.80548200  0.51721200  0.49612400  1
  S  S25  1  0.67725300  0.44908900  0.09426200  1
  S  S26  1  0.47586100  0.24943100  0.29346500  1
  S  S27  1  0.27652000  0.04892900  0.49552000  1
  S  S28  1  0.07736800  0.85041300  0.69331700  1
  S  S29  1  0.87503300  0.64872200  0.89499600  1
  S  S30  1  0.12496700  0.35127800  0.10500400  1
  S  S31  1  0.92263200  0.14958700  0.30668300  1
  S  S32  1  0.72348000  0.95107100  0.50448000  1
  S  S33  1  0.52413900  0.75056900  0.70653500  1
  S  S34  1  0.32274700  0.55091100  0.90573800  1
