# generated using pymatgen
data_Cr2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02587949
_cell_length_b   6.02587949
_cell_length_c   11.26503427
_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   'Cr8 S12'
_cell_volume   354.24524798
_cell_formula_units_Z   4
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  0.66666700  0.33333300  0.48251400  1
  Cr  Cr1  1  0.66666700  0.33333300  0.01748600  1
  Cr  Cr2  1  0.33333300  0.66666700  0.51748600  1
  Cr  Cr3  1  0.33333300  0.66666700  0.98251400  1
  Cr  Cr4  1  0.00000000  0.00000000  0.50000000  1
  Cr  Cr5  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr6  1  0.66666700  0.33333300  0.75000000  1
  Cr  Cr7  1  0.33333300  0.66666700  0.25000000  1
  S  S8  1  0.67543600  0.65378500  0.88349500  1
  S  S9  1  0.34621500  0.02165200  0.88349500  1
  S  S10  1  0.97834800  0.32456400  0.88349500  1
  S  S11  1  0.34621500  0.32456400  0.61650500  1
  S  S12  1  0.97834800  0.65378500  0.61650500  1
  S  S13  1  0.67543600  0.02165200  0.61650500  1
  S  S14  1  0.32456400  0.34621500  0.11650500  1
  S  S15  1  0.65378500  0.97834800  0.11650500  1
  S  S16  1  0.32456400  0.97834800  0.38349500  1
  S  S17  1  0.02165200  0.34621500  0.38349500  1
  S  S18  1  0.65378500  0.67543600  0.38349500  1
  S  S19  1  0.02165200  0.67543600  0.11650500  1
