data_TiBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   133.3
_cell_angle_beta   133.3
_cell_angle_gamma   68.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBi2Ir
_chemical_formula_sum   'Ti1 Bi2 Ir1'
_cell_volume   85.0
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.17  0.26  1.0
  Bi  Bi1  1  0.0  0.0  0.53  1.0
  Ir  Ir2  1  0.17  0.0  0.26  1.0

data_TiBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.47
_cell_angle_alpha   113.35
_cell_angle_beta   113.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBi2Ir
_chemical_formula_sum   'Ti1 Bi2 Ir1'
_cell_volume   85.0
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.47  0.0  0.47  1.0
  Bi  Bi2  1  0.9  0.17  0.9  1.0
  Ir  Ir3  1  0.74  0.0  0.9  1.0

Ti Bi Bi Ir
Ti Bi Bi Ir 0 1 o o o 0 3 o o o 0 2 o o - 1 3 o o o 1 2 o o o 2 3 o o o 