data_[Bi4Sb4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [6.8527]
_cell_length_b [6.7653]
_cell_length_c [6.9273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiSbIr]
_chemical_formula_sum '[Bi4 Sb4 Ir4]'
_cell_volume [290.7963]
_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
[
  Bi  Bi0  4  0.1487  0.6368  0.3750  1.0
  Sb  Sb1  4  0.3480  0.1396  0.6736  1.0
  Ir  Ir2  4  0.2821  0.0072  0.2939  1.0
]