# generated using pymatgen
data_CrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75666500
_cell_length_b   5.74293200
_cell_length_c   5.79282579
_cell_angle_alpha   89.85408062
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuS4
_chemical_formula_sum   'Cr2 Cu2 S8'
_cell_volume   191.51098517
_cell_formula_units_Z   2
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  0.50000000  0.50000000  1.0
  Cr  Cr1  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.50000000  0.00000000  1.0
  S  S4  1  0.59884700  0.10212100  0.11073000  1.0
  S  S5  1  0.09884700  0.39787900  0.88927000  1.0
  S  S6  1  0.38476400  0.61468000  0.40208400  1.0
  S  S7  1  0.88476400  0.88532000  0.59791600  1.0
  S  S8  1  0.40115300  0.89787900  0.88927000  1.0
  S  S9  1  0.90115300  0.60212100  0.11073000  1.0
  S  S10  1  0.61523600  0.38532000  0.59791600  1.0
  S  S11  1  0.11523600  0.11468000  0.40208400  1.0