data_NaV2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   7.33
_cell_angle_alpha   95.79
_cell_angle_beta   95.79
_cell_angle_gamma   42.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Bi
_chemical_formula_sum   'Na1 V2 Bi1'
_cell_volume   91.65
_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  Na1  1  0.4  0.0  0.71  1.0
  V  V2  1  0.96  0.0  0.8  1.0
  V  V3  1  0.96  0.0  0.24  1.0
  Bi  Bi0  1  0.55  0.0  0.16  1.0

data_NaV2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.31
_cell_length_c   7.33
_cell_angle_alpha   95.79
_cell_angle_beta   90.0
_cell_angle_gamma   111.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Bi
_chemical_formula_sum   'Na1 V2 Bi1'
_cell_volume   91.65
_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  0.6  0.29  1.0
  V  V1  1  0.0  0.04  0.2  1.0
  V  V2  1  0.0  0.04  0.76  1.0
  Bi  Bi3  1  0.0  0.45  0.84  1.0

Na V V Bi