data_[Tb12Mg20In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.4991]
_cell_length_b [13.7608]
_cell_length_c [6.2296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tb3Mg5In2]
_chemical_formula_sum '[Tb12 Mg20 In8]'
_cell_volume [1071.4710]
_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  0.1263  0.2347  0.0000  1
  Tb  Tb1  4  0.0000  0.0000  0.2500  1
  Mg  Mg2  8  0.1146  0.3504  0.5000  1
  Mg  Mg3  8  0.2437  0.5000  0.2500  1
  Mg  Mg4  4  0.0000  0.5000  0.2500  1
  In  In5  8  0.1402  0.1525  0.5000  1
]