data_[Ce2Tl2In2Cl12]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [7.0357]
_cell_length_b [7.0357]
_cell_length_c [13.5689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CeTlInCl6]
_chemical_formula_sum '[Ce2 Tl2 In2 Cl12]'
_cell_volume [671.6805]
_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  0.3328  1.0
  Tl  Tl1  2  0.0000  0.0000  0.9981  1.0
  In  In2  2  0.0000  0.0000  0.6662  1.0
  Cl  Cl3  4  0.1774  0.8226  0.4811  1.0
  Cl  Cl4  4  0.1866  0.8134  0.1916  1.0
  Cl  Cl5  4  0.2332  0.7668  0.8287  1.0
]