data_[Co2Ni2As4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.6419]
_cell_length_b [5.6487]
_cell_length_c [5.6454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CoNi(AsS)2]
_chemical_formula_sum '[Co2 Ni2 As4 S4]'
_cell_volume [179.9139]
_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  2  0.4937  0.0073  0.7422  1.0
  Ni  Ni1  2  0.0084  0.9924  0.2425  1.0
  As  As2  2  0.1251  0.3812  0.3688  1.0
  As  As3  2  0.3836  0.6241  0.8734  1.0
  S  S4  2  0.1234  0.1154  0.8649  1.0
  S  S5  2  0.3879  0.8797  0.3704  1.0
]