# generated using pymatgen
data_CrCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69454429
_cell_length_b   6.69454429
_cell_length_c   6.69454452
_cell_angle_alpha   28.35724964
_cell_angle_beta   28.35724964
_cell_angle_gamma   28.35725245
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuS2
_chemical_formula_sum   'Cr1 Cu1 S2'
_cell_volume   59.81192530
_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  0.85751300  0.85751300  0.85751300  1.0
  Cu  Cu1  1  0.00556900  0.00556900  0.00556900  1.0
  S  S2  1  0.26665600  0.26665600  0.26665600  1.0
  S  S3  1  0.12026200  0.12026200  0.12026200  1.0