data_BaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   145.99
_cell_angle_beta   132.11
_cell_angle_gamma   60.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi2
_chemical_formula_sum   'Ba1 Bi2'
_cell_volume   108.06
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.73  1.0
  Bi  Bi2  1  0.0  0.0  0.36  1.0

data_BaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.2
_cell_length_c   6.41
_cell_angle_alpha   113.94
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi2
_chemical_formula_sum   'Ba1 Bi2'
_cell_volume   108.06
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.36  0.36  1.0
  Bi  Bi2  1  0.0  0.73  0.73  1.0

Ba Bi Bi