data_[Ce1Tl1H2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7410]
_cell_length_b [7.0877]
_cell_length_c [8.1774]
_cell_angle_alpha [88.2320]
_cell_angle_beta [88.8437]
_cell_angle_gamma [88.8297]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeTl(HCl4)2]
_chemical_formula_sum '[Ce1 Tl1 H2 Cl8]'
_cell_volume [390.3585]
_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  0.0000  0.5000  1.0
  H  H2  2  0.2597  0.3158  0.6967  1.0
  Cl  Cl3  2  0.1987  0.8181  0.7638  1.0
  Cl  Cl4  2  0.2328  0.8605  0.2380  1.0
  Cl  Cl5  2  0.2330  0.2842  0.9477  1.0
  Cl  Cl6  2  0.2707  0.3283  0.5345  1.0
]