data_[Li4Tb4Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0363]
_cell_length_b [5.7311]
_cell_length_c [9.6306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTbPd3]
_chemical_formula_sum '[Li4 Tb4 Pd12]'
_cell_volume [346.3233]
_cell_formula_units_Z [4]
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  0.1510  0.6460  0.0129  1.0
  Tb  Tb1  4  0.3875  0.1384  0.8241  1.0
  Pd  Pd2  4  0.0012  0.1157  0.2577  1.0
  Pd  Pd3  4  0.1966  0.1121  0.0402  1.0
  Pd  Pd4  4  0.3877  0.6384  0.8579  1.0
]