data_[Li4Tm1Cd15]
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 [4.4091]
_cell_length_b [4.4091]
_cell_length_c [21.9535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li4TmCd15]
_chemical_formula_sum '[Li4 Tm1 Cd15]'
_cell_volume [426.7896]
_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  2  0.0000  0.0000  0.2047  1
  Li  Li1  2  0.0000  0.0000  0.4031  1
  Tm  Tm2  1  0.0000  0.0000  0.0000  1
  Cd  Cd3  4  0.0000  0.5000  0.1078  1
  Cd  Cd4  4  0.0000  0.5000  0.3042  1
  Cd  Cd5  2  0.0000  0.5000  0.5000  1
  Cd  Cd6  2  0.5000  0.5000  0.2073  1
  Cd  Cd7  2  0.5000  0.5000  0.4014  1
  Cd  Cd8  1  0.5000  0.5000  0.0000  1
]