# generated using pymatgen
data_Cr2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02725927
_cell_length_b   6.02725927
_cell_length_c   16.06145762
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2S3
_chemical_formula_sum   'Cr12 S18'
_cell_volume   505.30702377
_cell_formula_units_Z   6
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
  Cr  Cr0  1  0.00000000  0.00000000  0.32925100  1
  Cr  Cr1  1  0.33333300  0.66666700  0.16666700  1
  Cr  Cr2  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr3  1  0.66666700  0.33333300  0.00408300  1
  Cr  Cr4  1  0.66666700  0.33333300  0.66258400  1
  Cr  Cr5  1  0.00000000  0.00000000  0.50000000  1
  Cr  Cr6  1  0.66666700  0.33333300  0.33333300  1
  Cr  Cr7  1  0.33333300  0.66666700  0.33741600  1
  Cr  Cr8  1  0.33333300  0.66666700  0.99591700  1
  Cr  Cr9  1  0.66666700  0.33333300  0.83333300  1
  Cr  Cr10  1  0.33333300  0.66666700  0.66666700  1
  Cr  Cr11  1  0.00000000  0.00000000  0.67074900  1
  S  S12  1  0.65944900  0.98714300  0.08106700  1
  S  S13  1  0.01285700  0.67230600  0.08106700  1
  S  S14  1  0.33897300  0.99278300  0.25226600  1
  S  S15  1  0.32769400  0.34055100  0.08106700  1
  S  S16  1  0.65381000  0.66102700  0.25226600  1
  S  S17  1  0.00721700  0.34619000  0.25226600  1
  S  S18  1  0.32611600  0.32047600  0.41440000  1
  S  S19  1  0.67952400  0.00563900  0.41440000  1
  S  S20  1  0.00563900  0.32611600  0.58560000  1
  S  S21  1  0.99436100  0.67388400  0.41440000  1
  S  S22  1  0.32047600  0.99436100  0.58560000  1
  S  S23  1  0.67388400  0.67952400  0.58560000  1
  S  S24  1  0.99278300  0.65381000  0.74773400  1
  S  S25  1  0.34619000  0.33897300  0.74773400  1
  S  S26  1  0.67230600  0.65944900  0.91893300  1
  S  S27  1  0.66102700  0.00721700  0.74773400  1
  S  S28  1  0.98714300  0.32769400  0.91893300  1
  S  S29  1  0.34055100  0.01285700  0.91893300  1
