data_NbVBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   133.0
_cell_angle_beta   133.0
_cell_angle_gamma   68.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVBi2
_chemical_formula_sum   'Nb1 V1 Bi2'
_cell_volume   87.43
_cell_formula_units_Z   1
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
  Nb  Nb2  1  0.0  0.19  0.27  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.19  0.0  0.27  1.0
  Bi  Bi1  1  0.0  0.0  0.54  1.0

data_NbVBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.5
_cell_angle_alpha   113.5
_cell_angle_beta   113.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVBi2
_chemical_formula_sum   'Nb1 V1 Bi2'
_cell_volume   87.43
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.08  0.27  0.08  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.27  0.08  0.08  1.0
  Bi  Bi3  1  0.54  0.54  0.54  1.0

Nb V Bi Bi