data_[Li3Tm6Cd3Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7070]
_cell_length_b [4.7070]
_cell_length_c [23.1056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiTm2CdPd4]
_chemical_formula_sum '[Li3 Tm6 Cd3 Pd12]'
_cell_volume [443.3463]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1.0
  Tm  Tm1  6  0.0000  0.0000  0.2499  1.0
  Cd  Cd2  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  6  0.0000  0.0000  0.1266  1.0
  Pd  Pd4  6  0.0000  0.0000  0.3785  1.0
]