# generated using pymatgen
data_CoNiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58537414
_cell_length_b   5.56687909
_cell_length_c   5.55919010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.35864974
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiS4
_chemical_formula_sum   'Co2 Ni2 S8'
_cell_volume   172.84908124
_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
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni3  1  0.50000000  0.50000000  0.00000000  1
  S  S4  1  0.10624000  0.60628800  0.88610300  1
  S  S5  1  0.39376000  0.10628800  0.11389700  1
  S  S6  1  0.61473700  0.38539200  0.60559800  1
  S  S7  1  0.88526300  0.88539200  0.39440200  1
  S  S8  1  0.89376000  0.39371200  0.11389700  1
  S  S9  1  0.60624000  0.89371200  0.88610300  1
  S  S10  1  0.38526300  0.61460800  0.39440200  1
  S  S11  1  0.11473700  0.11460800  0.60559800  1
