data_[Ce4Tl2Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4770]
_cell_length_b [5.1817]
_cell_length_c [18.4127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ce2TlCd3]
_chemical_formula_sum '[Ce4 Tl2 Cd6]'
_cell_volume [331.7339]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  2  0.0000  0.0000  0.1260  1
  Ce  Ce1  2  0.0000  0.5000  0.8744  1
  Tl  Tl2  2  0.0000  0.5000  0.4639  1
  Cd  Cd3  2  0.0000  0.0000  0.5384  1
  Cd  Cd4  2  0.0000  0.0000  0.6908  1
  Cd  Cd5  2  0.0000  0.5000  0.3065  1
]