data_[Li1Tb5Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5732]
_cell_length_b [3.5732]
_cell_length_c [18.8779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiTb5Al4]
_chemical_formula_sum '[Li1 Tb5 Al4]'
_cell_volume [241.0226]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1.0
  Tb  Tb1  2  0.5000  0.5000  0.1095  1.0
  Tb  Tb2  2  0.5000  0.5000  0.3047  1.0
  Tb  Tb3  1  0.5000  0.5000  0.5000  1.0
  Al  Al4  2  0.0000  0.0000  0.2037  1.0
  Al  Al5  2  0.0000  0.0000  0.4022  1.0
]