data_[V4Sb2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5836]
_cell_length_b [3.2428]
_cell_length_c [18.8685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2SbSe6]
_chemical_formula_sum '[V4 Sb2 Se12]'
_cell_volume [1259.4293]
_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  0.1581  0.0000  0.5221  1
  Sb  Sb1  2  0.0000  0.5000  0.5000  1
  Se  Se2  4  0.1006  0.5000  0.6025  1
  Se  Se3  4  0.1204  0.5000  0.4276  1
  Se  Se4  4  0.2431  0.5000  0.5681  1
]