data_[Ce2Hg3Bi3]
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 [Pmmm]
_cell_length_a [4.7650]
_cell_length_b [5.0820]
_cell_length_c [9.2280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ce2(HgBi)3]
_chemical_formula_sum '[Ce2 Hg3 Bi3]'
_cell_volume [223.4591]
_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  0.0000  0.2512  1.0
  Hg  Hg1  2  0.5000  0.5000  0.2382  1.0
  Hg  Hg2  1  0.0000  0.5000  0.0000  1.0
  Bi  Bi3  1  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  1  0.5000  0.0000  0.0000  1.0
  Bi  Bi5  1  0.5000  0.0000  0.5000  1.0
]