# generated using pymatgen
data_Cr2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95376858
_cell_length_b   5.95376858
_cell_length_c   10.94272260
_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   335.92314009
_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  0.33333300  0.66666700  0.25794400  1
  Cr  Cr1  1  0.33333300  0.66666700  0.98877100  1
  Cr  Cr2  1  0.00000000  0.00000000  0.00455300  1
  Cr  Cr3  1  0.66666700  0.33333300  0.74885600  1
  Cr  Cr4  1  0.66666700  0.33333300  0.49499000  1
  Cr  Cr5  1  0.33333300  0.66666700  0.50483000  1
  Cr  Cr6  1  0.00000000  0.00000000  0.50032100  1
  Cr  Cr7  1  0.66666700  0.33333300  0.00508900  1
  S  S8  1  0.99239600  0.66253800  0.62022600  1
  S  S9  1  0.65710800  0.98648900  0.12210400  1
  S  S10  1  0.66426800  0.67053300  0.37944000  1
  S  S11  1  0.67014200  0.00760400  0.62022600  1
  S  S12  1  0.32938100  0.34289200  0.12210400  1
  S  S13  1  0.00626500  0.33573200  0.37944000  1
  S  S14  1  0.32946700  0.99373500  0.37944000  1
  S  S15  1  0.99068700  0.32626600  0.87644500  1
  S  S16  1  0.33746200  0.32985800  0.62022600  1
  S  S17  1  0.01351100  0.67061900  0.12210400  1
  S  S18  1  0.33557800  0.00931300  0.87644500  1
  S  S19  1  0.67373400  0.66442200  0.87644500  1
