data_[Fe4Co4Ni8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2617]
_cell_length_b [10.7672]
_cell_length_c [5.6672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [FeCo(NiS3)2]
_chemical_formula_sum '[Fe4 Co4 Ni8 S24]'
_cell_volume [582.1781]
_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
[
  Fe  Fe0  4  0.0000  0.2568  0.7500  1
  Co  Co1  4  0.0000  0.0771  0.2500  1
  Ni  Ni2  8  0.1303  0.4007  0.1994  1
  S  S3  8  0.0974  0.3995  0.5765  1
  S  S4  8  0.1252  0.0872  0.6683  1
  S  S5  8  0.1339  0.2029  0.1436  1
]