data_[Li6Tm15Pb15]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9391]
_cell_length_b [4.9391]
_cell_length_c [44.8265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2(TmPb)5]
_chemical_formula_sum '[Li6 Tm15 Pb15]'
_cell_volume [947.0345]
_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  6  0.0000  0.0000  0.0679  1.0
  Tm  Tm1  6  0.0000  0.0000  0.2247  1.0
  Tm  Tm2  6  0.0000  0.0000  0.3054  1.0
  Tm  Tm3  3  -0.0000  -0.0000  0.5000  1.0
  Pb  Pb4  6  0.0000  0.0000  0.1365  1.0
  Pb  Pb5  6  0.0000  0.0000  0.4028  1.0
  Pb  Pb6  3  0.0000  0.0000  0.0000  1.0
]