data_[Li2Tb4Y12]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.5765]
_cell_length_b [10.5765]
_cell_length_c [5.0529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Li(TbY3)2]
_chemical_formula_sum '[Li2 Tb4 Y12]'
_cell_volume [565.2275]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1.0
  Tb  Tb1  4  0.1753  0.1753  0.0000  1.0
  Y  Y2  8  0.0053  0.3330  0.5000  1.0
  Y  Y3  4  0.1613  0.8387  0.0000  1.0
]