data_[V4Co4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8955]
_cell_length_b [4.0582]
_cell_length_c [7.2923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VCoS3]
_chemical_formula_sum '[V4 Co4 S12]'
_cell_volume [297.3815]
_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
[
  V  V0  4  0.1622  0.5000  0.4238  1
  Co  Co1  4  0.1722  0.0000  0.9476  1
  S  S2  4  0.0984  0.5000  0.8481  1
  S  S3  4  0.1449  0.0000  0.2241  1
  S  S4  4  0.1454  0.0000  0.5962  1
]