# generated using pymatgen
data_Mn(CrS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.12974872
_cell_length_b   10.12974872
_cell_length_c   10.12974872
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(CrS2)2
_chemical_formula_sum   'Mn8 Cr16 S32'
_cell_volume   1039.43184219
_cell_formula_units_Z   8
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  0.25000000  0.25000000  0.75000000  1
  Mn  Mn1  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn2  1  0.25000000  0.75000000  0.25000000  1
  Mn  Mn3  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn4  1  0.75000000  0.25000000  0.25000000  1
  Mn  Mn5  1  0.00000000  0.00000000  0.50000000  1
  Mn  Mn6  1  0.75000000  0.75000000  0.75000000  1
  Mn  Mn7  1  0.00000000  0.50000000  0.00000000  1
  Cr  Cr8  1  0.87500000  0.12500000  0.87500000  1
  Cr  Cr9  1  0.87500000  0.87500000  0.12500000  1
  Cr  Cr10  1  0.62500000  0.62500000  0.12500000  1
  Cr  Cr11  1  0.12500000  0.87500000  0.87500000  1
  Cr  Cr12  1  0.87500000  0.62500000  0.37500000  1
  Cr  Cr13  1  0.87500000  0.37500000  0.62500000  1
  Cr  Cr14  1  0.62500000  0.12500000  0.62500000  1
  Cr  Cr15  1  0.12500000  0.37500000  0.37500000  1
  Cr  Cr16  1  0.37500000  0.12500000  0.37500000  1
  Cr  Cr17  1  0.37500000  0.87500000  0.62500000  1
  Cr  Cr18  1  0.12500000  0.62500000  0.62500000  1
  Cr  Cr19  1  0.62500000  0.87500000  0.37500000  1
  Cr  Cr20  1  0.37500000  0.62500000  0.87500000  1
  Cr  Cr21  1  0.37500000  0.37500000  0.12500000  1
  Cr  Cr22  1  0.12500000  0.12500000  0.12500000  1
  Cr  Cr23  1  0.62500000  0.37500000  0.87500000  1
  S  S24  1  0.11412700  0.38587300  0.61412700  1
  S  S25  1  0.63587300  0.13587300  0.86412700  1
  S  S26  1  0.86412700  0.36412700  0.86412700  1
  S  S27  1  0.86412700  0.13587300  0.63587300  1
  S  S28  1  0.88587300  0.88587300  0.88587300  1
  S  S29  1  0.88587300  0.11412700  0.11412700  1
  S  S30  1  0.63587300  0.86412700  0.13587300  1
  S  S31  1  0.11412700  0.11412700  0.88587300  1
  S  S32  1  0.11412700  0.88587300  0.11412700  1
  S  S33  1  0.63587300  0.63587300  0.36412700  1
  S  S34  1  0.86412700  0.86412700  0.36412700  1
  S  S35  1  0.86412700  0.63587300  0.13587300  1
  S  S36  1  0.88587300  0.38587300  0.38587300  1
  S  S37  1  0.88587300  0.61412700  0.61412700  1
  S  S38  1  0.63587300  0.36412700  0.63587300  1
  S  S39  1  0.11412700  0.61412700  0.38587300  1
  S  S40  1  0.61412700  0.38587300  0.11412700  1
  S  S41  1  0.13587300  0.13587300  0.36412700  1
  S  S42  1  0.36412700  0.36412700  0.36412700  1
  S  S43  1  0.36412700  0.13587300  0.13587300  1
  S  S44  1  0.38587300  0.88587300  0.38587300  1
  S  S45  1  0.38587300  0.11412700  0.61412700  1
  S  S46  1  0.13587300  0.86412700  0.63587300  1
  S  S47  1  0.61412700  0.11412700  0.38587300  1
  S  S48  1  0.61412700  0.88587300  0.61412700  1
  S  S49  1  0.13587300  0.63587300  0.86412700  1
  S  S50  1  0.36412700  0.86412700  0.86412700  1
  S  S51  1  0.36412700  0.63587300  0.63587300  1
  S  S52  1  0.38587300  0.38587300  0.88587300  1
  S  S53  1  0.38587300  0.61412700  0.11412700  1
  S  S54  1  0.13587300  0.36412700  0.13587300  1
  S  S55  1  0.61412700  0.61412700  0.88587300  1
