data_[Na2Ce2Tl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1657]
_cell_length_b [6.4709]
_cell_length_c [6.5618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCeTl2F6]
_chemical_formula_sum '[Na2 Ce2 Tl4 F12]'
_cell_volume [386.2102]
_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
[
  Na  Na0  2  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl2  4  0.2474  0.5000  0.7337  1.0
  F  F3  8  0.0477  0.2533  0.2927  1.0
  F  F4  4  0.2464  0.5000  0.1671  1.0
]