data_[Li36Tm3Ag18]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9025]
_cell_length_b [9.9025]
_cell_length_c [12.7662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12TmAg6]
_chemical_formula_sum '[Li36 Tm3 Ag18]'
_cell_volume [1084.1276]
_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  18  0.0395  0.8418  0.7989  1
  Li  Li1  18  0.0602  0.2331  0.4213  1
  Tm  Tm2  3  0.0000  0.0000  0.0000  1
  Ag  Ag3  18  0.0107  0.5788  0.7030  1
]