data_Ba2InBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   142.51
_cell_angle_beta   134.39
_cell_angle_gamma   60.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InBi
_chemical_formula_sum   'Ba2 In1 Bi1'
_cell_volume   155.02
_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
  Ba  Ba0  1  0.0  0.76  0.99  1.0
  Ba  Ba1  1  0.0  0.0  0.22  1.0
  In  In3  1  0.0  0.0  0.78  1.0
  Bi  Bi2  1  0.0  0.76  0.46  1.0

data_Ba2InBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   5.52
_cell_length_c   7.11
_cell_angle_alpha   112.8
_cell_angle_beta   108.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InBi
_chemical_formula_sum   'Ba2 In1 Bi1'
_cell_volume   155.02
_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
  Ba  Ba0  1  0.0  0.22  0.22  1.0
  Ba  Ba1  1  0.24  0.23  0.23  1.0
  In  In2  1  0.0  0.78  0.78  1.0
  Bi  Bi3  1  0.24  0.7  0.7  1.0

Ba Ba In Bi