data_[Li1Tm5Cd4]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7427]
_cell_length_b [3.7427]
_cell_length_c [18.0335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiTm5Cd4]
_chemical_formula_sum '[Li1 Tm5 Cd4]'
_cell_volume [252.6073]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Tm  Tm1  2  0.5000  0.5000  0.0980  1.0
  Tm  Tm2  2  0.5000  0.5000  0.2990  1.0
  Tm  Tm3  1  0.5000  0.5000  0.5000  1.0
  Cd  Cd4  2  0.0000  0.0000  0.1967  1.0
  Cd  Cd5  2  0.0000  0.0000  0.3993  1.0
]