data_[Tb12Al8Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3350]
_cell_length_b [10.9947]
_cell_length_c [14.5556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3Al2Ga3]
_chemical_formula_sum '[Tb12 Al8 Ga12]'
_cell_volume [693.7466]
_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  0.0737  0.6153  1
  Tb  Tb1  4  0.0000  0.3585  0.7500  1
  Al  Al2  8  0.0000  0.2175  0.0980  1
  Ga  Ga3  8  0.0000  0.3879  0.5399  1
  Ga  Ga4  4  0.0000  0.3531  0.2500  1
]