# generated using pymatgen
data_Co2NiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57000550
_cell_length_b   6.57000571
_cell_length_c   6.57000489
_cell_angle_alpha   59.99999381
_cell_angle_beta   59.99999278
_cell_angle_gamma   59.99999627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2NiS4
_chemical_formula_sum   'Co4 Ni2 S8'
_cell_volume   200.53127691
_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
  Ni  Ni4  1  0.87500000  0.87500000  0.87500000  1.0
  Ni  Ni5  1  0.12500000  0.12500000  0.12500000  1.0
  S  S6  1  0.74108414  0.74108414  0.74108414  1.0
  S  S7  1  0.25891586  0.25891586  0.72325043  1.0
  S  S8  1  0.25891586  0.72325043  0.25891586  1.0
  S  S9  1  0.72325043  0.25891586  0.25891586  1.0
  S  S10  1  0.74108414  0.27674957  0.74108414  1.0
  S  S11  1  0.27674957  0.74108414  0.74108414  1.0
  S  S12  1  0.25891586  0.25891586  0.25891586  1.0
  S  S13  1  0.74108414  0.74108414  0.27674957  1.0