data_[Ce6H1Ir1Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2351]
_cell_length_b [5.2351]
_cell_length_c [10.1461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce6HIrPb2]
_chemical_formula_sum '[Ce6 H1 Ir1 Pb2]'
_cell_volume [278.0675]
_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  2  0.0000  0.5000  0.0000  1
  Ce  Ce1  2  0.0000  0.5000  0.5000  1
  Ce  Ce2  2  0.5000  0.5000  0.2814  1
  Ir  Ir3  1  0.5000  0.5000  0.0000  1
  H  H4  1  0.5000  0.5000  0.5000  1
  Pb  Pb5  2  0.0000  0.0000  0.2563  1
]