# generated using pymatgen
data_Co2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66185095
_cell_length_b   6.66185103
_cell_length_c   6.66185066
_cell_angle_alpha   60.00000184
_cell_angle_beta   60.00000143
_cell_angle_gamma   60.00000133
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2CuS4
_chemical_formula_sum   'Co4 Cu2 S8'
_cell_volume   209.05941875
_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  0.50000000  0.50000000  1.0
  Co  Co1  1  0.50000000  0.50000000  -0.00000000  1.0
  Co  Co2  1  0.50000000  -0.00000000  0.50000000  1.0
  Co  Co3  1  -0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.87500000  0.87500000  0.87500000  1.0
  Cu  Cu5  1  0.12500000  0.12500000  0.12500000  1.0
  S  S6  1  0.73795247  0.73795247  0.73795247  1.0
  S  S7  1  0.26204753  0.26204753  0.71385642  1.0
  S  S8  1  0.26204753  0.71385642  0.26204753  1.0
  S  S9  1  0.71385642  0.26204753  0.26204753  1.0
  S  S10  1  0.73795247  0.28614358  0.73795247  1.0
  S  S11  1  0.28614358  0.73795247  0.73795247  1.0
  S  S12  1  0.26204753  0.26204753  0.26204753  1.0
  S  S13  1  0.73795247  0.73795247  0.28614358  1.0