data_[Tb10In2Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0180]
_cell_length_b [10.0180]
_cell_length_c [6.3476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Tb5InBi4]
_chemical_formula_sum '[Tb10 In2 Bi8]'
_cell_volume [637.0503]
_cell_formula_units_Z [2]
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  0.1023  0.3024  0.0000  1.0
  Tb  Tb1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  8  0.0995  0.2998  0.5000  1.0
]