data_[Tb48Ga32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [11.6634]
_cell_length_b [11.6634]
_cell_length_c [14.9384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Tb3Ga2]
_chemical_formula_sum '[Tb48 Ga32]'
_cell_volume [2032.1468]
_cell_formula_units_Z [16]
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  32  0.0671  0.2020  0.3650  1
  Tb  Tb1  8  0.0000  0.5000  0.1476  1
  Tb  Tb2  8  0.1686  0.3314  0.0000  1
  Ga  Ga3  16  0.1780  0.3220  0.2018  1
  Ga  Ga4  8  0.1164  0.3836  0.5000  1
  Ga  Ga5  4  0.0000  0.0000  0.0000  1
  Ga  Ga6  4  0.0000  0.0000  0.2500  1
]