data_[V12C2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9403]
_cell_length_b [3.0705]
_cell_length_c [7.0827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V6CS2]
_chemical_formula_sum '[V12 C2 S4]'
_cell_volume [216.1574]
_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
[
  V  V0  4  0.0448  0.5000  0.2157  1
  V  V1  4  0.1274  0.0000  0.5527  1
  V  V2  4  0.1473  0.0000  0.9320  1
  C  C3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.2334  0.0000  0.2557  1
]