data_[Ce5Hg1Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2408]
_cell_length_b [4.2408]
_cell_length_c [15.9399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce5HgPb4]
_chemical_formula_sum '[Ce5 Hg1 Pb4]'
_cell_volume [286.6688]
_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  0.5000  0.5000  0.0971  1.0
  Ce  Ce1  2  0.5000  0.5000  0.2981  1.0
  Ce  Ce2  1  0.5000  0.5000  0.5000  1.0
  Hg  Hg3  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  2  0.0000  0.0000  0.1967  1.0
  Pb  Pb5  2  0.0000  0.0000  0.3993  1.0
]