data_Ba2GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   5.43
_cell_angle_alpha   112.31
_cell_angle_beta   112.31
_cell_angle_gamma   36.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaBi
_chemical_formula_sum   'Ba2 Ga1 Bi1'
_cell_volume   146.91
_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  0.15  0.0  0.13  1.0
  Ba  Ba1  1  0.57  0.0  0.68  1.0
  Ga  Ga3  1  0.93  0.0  0.33  1.0
  Bi  Bi2  1  0.02  0.0  0.33  1.0

data_Ba2GaBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   5.43
_cell_length_c   7.01
_cell_angle_alpha   112.31
_cell_angle_beta   108.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaBi
_chemical_formula_sum   'Ba2 Ga1 Bi1'
_cell_volume   146.91
_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  0.13  0.15  1.0
  Ba  Ba1  1  0.0  0.68  0.57  1.0
  Ga  Ga2  1  0.0  0.33  0.93  1.0
  Bi  Bi3  1  0.0  0.33  0.02  1.0

Ba Ba Ga Bi