data_[Th1Cd5Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4345]
_cell_length_b [3.4345]
_cell_length_c [17.8388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ThCd5Ag4]
_chemical_formula_sum '[Th1 Cd5 Ag4]'
_cell_volume [210.4205]
_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
[
  Th  Th0  1  0.0000  0.0000  0.0000  1
  Cd  Cd1  2  0.5000  0.5000  0.1306  1
  Cd  Cd2  2  0.5000  0.5000  0.3153  1
  Cd  Cd3  1  0.5000  0.5000  0.5000  1
  Ag  Ag4  2  0.0000  0.0000  0.2221  1
  Ag  Ag5  2  0.0000  0.0000  0.4075  1
]