data_[Li2Th1Cd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5627]
_cell_length_b [4.5627]
_cell_length_c [13.0456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li2ThCd9]
_chemical_formula_sum '[Li2 Th1 Cd9]'
_cell_volume [271.5844]
_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  0.3412  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.0000  0.5000  0.1875  1
  Cd  Cd3  2  0.0000  0.5000  0.5000  1
  Cd  Cd4  2  0.5000  0.5000  0.3470  1
  Cd  Cd5  1  0.5000  0.5000  0.0000  1
]