data_[Tb16Al4Ga2]
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 [C2/m]
_cell_length_a [18.4947]
_cell_length_b [5.0795]
_cell_length_c [6.7449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Al2Ga]
_chemical_formula_sum '[Tb16 Al4 Ga2]'
_cell_volume [615.8512]
_cell_formula_units_Z [2]
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  4  0.0209  0.0000  0.7692  1.0
  Tb  Tb1  4  0.0934  0.5000  0.4617  1.0
  Tb  Tb2  4  0.1568  0.5000  0.9684  1.0
  Tb  Tb3  4  0.2068  0.0000  0.3012  1.0
  Al  Al4  4  0.1866  0.0000  0.7414  1.0
  Ga  Ga5  2  0.0000  0.5000  0.0000  1.0
]