data_NaVBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   4.97
_cell_angle_alpha   102.68
_cell_angle_beta   102.68
_cell_angle_gamma   36.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVBi2
_chemical_formula_sum   'Na1 V1 Bi2'
_cell_volume   97.02
_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
  Na  Na2  1  0.02  0.0  1.0  1.0
  V  V3  1  0.01  0.0  0.17  1.0
  Bi  Bi0  1  0.88  0.0  0.31  1.0
  Bi  Bi1  1  0.94  0.0  0.62  1.0

data_NaVBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.97
_cell_length_c   5.83
_cell_angle_alpha   102.68
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVBi2
_chemical_formula_sum   'Na1 V1 Bi2'
_cell_volume   97.02
_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
  Na  Na0  1  0.0  1.0  0.02  1.0
  V  V1  1  0.0  0.17  0.01  1.0
  Bi  Bi2  1  0.0  0.31  0.88  1.0
  Bi  Bi3  1  0.0  0.62  0.94  1.0

Na V Bi Bi
Na V Bi Bi 0 1 o o + 0 3 - o o 1 2 - o o 2 3 o o o 