data_[Li8Tm16Al24]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.8289]
_cell_length_b [9.1873]
_cell_length_c [15.9205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [LiTm2Al3]
_chemical_formula_sum '[Li8 Tm16 Al24]'
_cell_volume [998.8360]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.3322  1
  Tm  Tm1  8  0.2477  0.0000  0.5000  1
  Tm  Tm2  8  0.2500  0.2500  0.2500  1
  Al  Al3  16  0.0000  0.2498  0.0842  1
  Al  Al4  8  0.0000  0.0000  0.1666  1
]