data_[Ce2Hg1Bi3]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5425]
_cell_length_b [4.5425]
_cell_length_c [8.7822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ce2HgBi3]
_chemical_formula_sum '[Ce2 Hg1 Bi3]'
_cell_volume [181.2145]
_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  0.2925  1.0
  Hg  Hg1  1  0.5000  0.5000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.5000  0.6598  1.0
  Bi  Bi3  1  0.0000  0.0000  0.0000  1.0
]