data_[Tb5Al1Ga4]
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 [P4/mmm]
_cell_length_a [3.5866]
_cell_length_b [3.5866]
_cell_length_c [18.0402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb5AlGa4]
_chemical_formula_sum '[Tb5 Al1 Ga4]'
_cell_volume [232.0683]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.1020  1
  Tb  Tb1  2  0.5000  0.5000  0.3007  1
  Tb  Tb2  1  0.5000  0.5000  0.5000  1
  Al  Al3  1  0.0000  0.0000  0.0000  1
  Ga  Ga4  2  0.0000  0.0000  0.2010  1
  Ga  Ga5  2  0.0000  0.0000  0.4004  1
]