data_[V3Co12Ni3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  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 [R3m]
_cell_length_a [6.8119]
_cell_length_b [6.8119]
_cell_length_c [15.7548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [VCo4NiS8]
_chemical_formula_sum '[V3 Co12 Ni3 S24]'
_cell_volume [633.1172]
_cell_formula_units_Z [3]
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
[
  V  V0  3  0.0000  0.0000  0.0261  1.0
  Co  Co1  9  0.1694  0.3389  0.8282  1.0
  Co  Co2  3  0.0000  0.0000  0.6179  1.0
  Ni  Ni3  3  0.0000  0.0000  0.3721  1.0
  S  S4  9  0.1670  0.3340  0.0897  1.0
  S  S5  9  0.1823  0.3645  0.5792  1.0
  S  S6  3  0.0000  0.0000  0.2369  1.0
  S  S7  3  0.0000  0.0000  0.7555  1.0
]