data_[Ce2Tl4H2F12]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9172]
_cell_length_b [3.8721]
_cell_length_c [14.8793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeTl2HF6]
_chemical_formula_sum '[Ce2 Tl4 H2 F12]'
_cell_volume [353.8329]
_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  0.5000  0.0000  0.0000  1
  Tl  Tl1  4  0.1995  0.0965  0.2023  1
  H  H2  2  0.0000  0.0000  0.5000  1
  F  F3  4  0.1497  0.6296  0.0639  1
  F  F4  4  0.2888  0.0152  0.4248  1
  F  F5  4  0.4744  0.5583  0.3399  1
]