data_BaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   134.49
_cell_angle_beta   106.55
_cell_angle_gamma   90.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi
_chemical_formula_sum   'Ba1 Bi1'
_cell_volume   85.67
_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  0.57  1.0

data_BaBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   73.45
_cell_angle_beta   67.24
_cell_angle_gamma   67.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi
_chemical_formula_sum   'Ba1 Bi1'
_cell_volume   85.67
_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  0.57  -0.0  0.43  1.0

Ba Bi