# generated using pymatgen
data_CoCuNiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68989070
_cell_length_b   6.75556634
_cell_length_c   9.49315270
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuNiS4
_chemical_formula_sum   'Co4 Cu4 Ni4 S16'
_cell_volume   429.03354722
_cell_formula_units_Z   4
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  0.75000000  0.25000000  0.25000000  1
  Co  Co1  1  0.25000000  0.25000000  0.25000000  1
  Co  Co2  1  0.25000000  0.75000000  0.75000000  1
  Co  Co3  1  0.75000000  0.75000000  0.75000000  1
  Cu  Cu4  1  0.50000000  0.75000000  0.12652200  1
  Cu  Cu5  1  0.50000000  0.25000000  0.87347800  1
  Cu  Cu6  1  0.00000000  0.25000000  0.62652200  1
  Cu  Cu7  1  0.00000000  0.75000000  0.37347800  1
  Ni  Ni8  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni9  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni10  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni11  1  0.50000000  0.50000000  0.50000000  1
  S  S12  1  0.77355300  0.75000000  0.98553200  1
  S  S13  1  0.22644700  0.75000000  0.98553200  1
  S  S14  1  0.50000000  0.47220800  0.26032200  1
  S  S15  1  0.00000000  0.52779200  0.76032200  1
  S  S16  1  0.22644700  0.25000000  0.01446800  1
  S  S17  1  0.77355300  0.25000000  0.01446800  1
  S  S18  1  0.50000000  0.52779200  0.73967800  1
  S  S19  1  0.00000000  0.47220800  0.23967800  1
  S  S20  1  0.27355300  0.25000000  0.48553200  1
  S  S21  1  0.72644700  0.25000000  0.48553200  1
  S  S22  1  0.00000000  0.97220800  0.76032200  1
  S  S23  1  0.50000000  0.02779200  0.26032200  1
  S  S24  1  0.72644700  0.75000000  0.51446800  1
  S  S25  1  0.27355300  0.75000000  0.51446800  1
  S  S26  1  0.00000000  0.02779200  0.23967800  1
  S  S27  1  0.50000000  0.97220800  0.73967800  1
