data_[Tb4Sm12Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.5455]
_cell_length_b [9.5455]
_cell_length_c [9.5455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Tb(SmBi)3]
_chemical_formula_sum '[Tb4 Sm12 Bi12]'
_cell_volume [869.7479]
_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  4  0.0729  0.5729  0.9271  1
  Sm  Sm1  4  0.0697  0.4303  0.5697  1
  Sm  Sm2  4  0.1769  0.8231  0.3231  1
  Sm  Sm3  4  0.1779  0.1779  0.1779  1
  Bi  Bi4  12  0.0010  0.2532  0.8733  1
]