data_Ba2VBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.53
_cell_length_b   11.53
_cell_length_c   11.53
_cell_angle_alpha   18.76
_cell_angle_beta   18.76
_cell_angle_gamma   18.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VBi
_chemical_formula_sum   'Ba2 V1 Bi1'
_cell_volume   138.29
_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
  Ba  Ba0  1  0.0  0.0  0.27  1.0
  Ba  Ba1  1  0.0  0.0  0.69  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.98  1.0

data_Ba2VBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.51
_cell_length_b   3.76
_cell_length_c   11.53
_cell_angle_alpha   90.0
_cell_angle_beta   100.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2VBi
_chemical_formula_sum   'Ba4 V2 Bi2'
_cell_volume   276.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.31  1.0
  Ba  Ba1  2  0.0  0.0  0.73  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.02  1.0

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