data_[Tb12Ga8Ni12]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3760]
_cell_length_b [14.7915]
_cell_length_c [5.6252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb3Ga2Ni3]
_chemical_formula_sum '[Tb12 Ga8 Ni12]'
_cell_volume [613.7217]
_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  0.0300  0.6047  0.6524  1
  Tb  Tb1  4  0.1686  0.7500  0.1118  1
  Ga  Ga2  8  0.1239  0.1022  0.8536  1
  Ni  Ni3  8  0.1722  0.5352  0.0815  1
  Ni  Ni4  4  0.1847  0.2500  0.0927  1
]