data_[Tb16Bi4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0610]
_cell_length_b [13.6225]
_cell_length_c [6.1055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb4BiIr]
_chemical_formula_sum '[Tb16 Bi4 Ir4]'
_cell_volume [690.8304]
_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
[
  Tb  Tb0  8  0.1116  0.1712  0.5699  1.0
  Tb  Tb1  8  0.2235  0.4277  0.8452  1.0
  Bi  Bi2  4  0.0000  0.3738  0.2500  1.0
  Ir  Ir3  4  0.0000  0.0001  0.2500  1.0
]