data_[Li4Tb2Cu18]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.3059]
_cell_length_b [8.3059]
_cell_length_c [4.9120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2TbCu9]
_chemical_formula_sum '[Li4 Tb2 Cu18]'
_cell_volume [338.8720]
_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  4  0.1139  0.6139  0.0000  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  8  0.0607  0.7911  0.5000  1
  Cu  Cu3  8  0.1813  0.3187  0.2425  1
  Cu  Cu4  2  0.0000  0.5000  0.5000  1
]