# generated using pymatgen
data_CrCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73961337
_cell_length_b   3.73961400
_cell_length_c   6.57034645
_cell_angle_alpha   73.46609320
_cell_angle_beta   106.53390322
_cell_angle_gamma   120.00000555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuS2
_chemical_formula_sum   'Cr1 Cu1 S2'
_cell_volume   75.15517820
_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
  Cr  Cr0  1  0.53365300  0.46634700  0.60096000  1.0
  Cu  Cu1  1  0.10870500  0.89129500  0.32611500  1.0
  S  S2  1  0.25756500  0.74243500  0.77269400  1.0
  S  S3  1  0.77207700  0.22792300  0.31623200  1.0