data_[Ce16Tl12H8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8832]
_cell_length_b [9.6939]
_cell_length_c [6.6232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4Tl3H2]
_chemical_formula_sum '[Ce16 Tl12 H8]'
_cell_volume [845.5261]
_cell_formula_units_Z [4]
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  8  0.1253  0.2285  0.0701  1
  Ce  Ce1  8  0.2069  0.4119  0.6183  1
  Tl  Tl2  8  0.1055  0.1074  0.5739  1
  Tl  Tl3  4  0.0000  0.4967  0.7500  1
  H  H4  8  0.2322  0.3753  0.9684  1
]