data_[V4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.3473]
_cell_length_b [4.2232]
_cell_length_c [8.1634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [VBi]
_chemical_formula_sum '[V4 Bi4]'
_cell_volume [184.3503]
_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  2  0.0000  0.0000  0.5000  1
  V  V1  2  0.2500  0.5000  0.4130  1
  Bi  Bi2  2  0.2500  0.0000  0.1771  1
  Bi  Bi3  2  0.2500  0.5000  0.7469  1
]