data_[Ce1Tl1H2F8]
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/m]
_cell_length_a [3.8677]
_cell_length_b [8.9695]
_cell_length_c [4.8223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeTlH2F8]
_chemical_formula_sum '[Ce1 Tl1 H2 F8]'
_cell_volume [153.6247]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  H  H2  2  0.0000  0.2348  0.5000  1.0
  F  F3  4  0.0514  0.2303  0.2786  1.0
  F  F4  2  0.3649  0.5000  0.7128  1.0
  F  F5  2  0.3743  0.0000  0.7165  1.0
]