data_[Ti8Bi4Sb4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.7968]
_cell_length_b [4.4021]
_cell_length_c [10.8123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ti2BiSbIr2]
_chemical_formula_sum '[Ti8 Bi4 Sb4 Ir8]'
_cell_volume [484.4529]
_cell_formula_units_Z [4]
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  0.0022  0.0000  0.2487  1
  Ti  Ti1  1  0.1272  0.5000  0.6223  1
  Ti  Ti2  1  0.2504  0.0000  0.0051  1
  Ti  Ti3  1  0.3731  0.5000  0.3730  1
  Ti  Ti4  1  0.4999  0.0000  0.7496  1
  Ti  Ti5  1  0.6247  0.5000  0.1252  1
  Ti  Ti6  1  0.7477  0.0000  0.4976  1
  Ti  Ti7  1  0.8752  0.5000  0.8795  1
  Bi  Bi8  1  0.0014  0.0000  0.7529  1
  Bi  Bi9  1  0.3758  0.5000  0.8770  1
  Bi  Bi10  1  0.6233  0.5000  0.6250  1
  Bi  Bi11  1  0.8758  0.5000  0.3731  1
  Sb  Sb12  1  0.1250  0.5000  0.1256  1
  Sb  Sb13  1  0.2496  0.0000  0.4976  1
  Sb  Sb14  1  0.4988  0.0000  0.2493  1
  Sb  Sb15  1  0.7506  0.0000  0.0009  1
  Ir  Ir16  1  0.0014  0.0000  0.0080  1
  Ir  Ir17  1  0.1300  0.5000  0.3736  1
  Ir  Ir18  1  0.2517  0.0000  0.7435  1
  Ir  Ir19  1  0.3729  0.5000  0.1296  1
  Ir  Ir20  1  0.4946  0.0000  0.4944  1
  Ir  Ir21  1  0.6312  0.5000  0.8806  1
  Ir  Ir22  1  0.7437  0.0000  0.2443  1
  Ir  Ir23  1  0.8739  0.5000  0.6237  1
]