data_BaBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.03
_cell_angle_alpha   116.98
_cell_angle_beta   116.98
_cell_angle_gamma   32.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi2Ir
_chemical_formula_sum   'Ba1 Bi2 Ir1'
_cell_volume   121.06
_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  0.41  0.0  0.65  1.0
  Bi  Bi2  1  0.14  0.0  0.67  1.0
  Ir  Ir3  1  0.78  0.0  0.66  1.0

data_BaBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   6.03
_cell_length_c   6.47
_cell_angle_alpha   116.98
_cell_angle_beta   106.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBi2Ir
_chemical_formula_sum   'Ba1 Bi2 Ir1'
_cell_volume   121.06
_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  0.65  0.41  1.0
  Bi  Bi2  1  0.0  0.67  0.14  1.0
  Ir  Ir3  1  0.0  0.66  0.78  1.0

Ba Bi Bi Ir