data_[Li3Tm3Al6Cu12]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2465]
_cell_length_b [4.2465]
_cell_length_c [23.2859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiTm(AlCu2)2]
_chemical_formula_sum '[Li3 Tm3 Al6 Cu12]'
_cell_volume [363.6522]
_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  3  0.0000  0.0000  0.0000  1.0
  Al  Al2  6  0.0000  0.0000  0.2417  1.0
  Cu  Cu3  6  0.0000  0.0000  0.1282  1.0
  Cu  Cu4  6  0.0000  0.0000  0.3982  1.0
]