data_[Ce12Tl4Fe2H2]
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
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.0131]
_cell_length_b [7.0131]
_cell_length_c [10.0615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ce6Tl2FeH]
_chemical_formula_sum '[Ce12 Tl4 Fe2 H2]'
_cell_volume [494.8679]
_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  8  0.2490  0.2490  0.0000  1
  Ce  Ce1  4  0.0000  0.0000  0.2294  1
  Tl  Tl2  4  0.0000  0.5000  0.2500  1
  Fe  Fe3  2  0.0000  0.0000  0.5000  1
  H  H4  2  0.0000  0.0000  0.0000  1
]