data_[Li12Tm8In16]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.1486]
_cell_length_b [16.3970]
_cell_length_c [7.9819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(TmIn2)2]
_chemical_formula_sum '[Li12 Tm8 In16]'
_cell_volume [804.7172]
_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  8  0.2500  0.2347  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  8  0.0000  0.1040  0.5968  1.0
  In  In3  8  0.0000  0.1714  0.9799  1.0
  In  In4  8  0.2500  0.0613  0.2500  1.0
]