# generated using pymatgen
data_CoCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74248497
_cell_length_b   5.59321610
_cell_length_c   5.59250884
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.99819394
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuS4
_chemical_formula_sum   'Co2 Cu2 S8'
_cell_volume   179.59830519
_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
  Co  Co0  1  0.50000000  0.00000000  0.50000000  1
  Co  Co1  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu3  1  0.50000000  0.50000000  -0.00000000  1
  S  S4  1  0.10001500  0.59708800  0.88338500  1
  S  S5  1  0.39998500  0.09708800  0.11661500  1
  S  S6  1  0.61803900  0.38247400  0.59207400  1
  S  S7  1  0.88196100  0.88247400  0.40792600  1
  S  S8  1  0.89998500  0.40291200  0.11661500  1
  S  S9  1  0.60001500  0.90291200  0.88338500  1
  S  S10  1  0.38196100  0.61752600  0.40792600  1
  S  S11  1  0.11803900  0.11752600  0.59207400  1
