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 [Cmcm]
_cell_length_a [4.1368]
_cell_length_b [10.6518]
_cell_length_c [13.7081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3Ga2Ni3]
_chemical_formula_sum '[Tb12 Ga8 Ni12]'
_cell_volume [604.0323]
_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  0.0000  0.0795  0.6077  1.0
  Tb  Tb1  4  0.0000  0.3599  0.7500  1.0
  Ga  Ga2  8  0.0000  0.2157  0.0887  1.0
  Ni  Ni3  8  0.0000  0.3946  0.5395  1.0
  Ni  Ni4  4  0.0000  0.3330  0.2500  1.0
]