data_[V16Cr4Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.2456]
_cell_length_b [10.2456]
_cell_length_c [10.2456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [V4CrSe8]
_chemical_formula_sum '[V16 Cr4 Se32]'
_cell_volume [1075.4903]
_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  16  0.1444  0.1444  0.6444  1.0
  Cr  Cr1  4  0.2500  0.2500  0.2500  1.0
  Se  Se2  16  0.1133  0.1133  0.3867  1.0
  Se  Se3  16  0.1194  0.1194  0.8806  1.0
]