data_[Ce2Ag6Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0570]
_cell_length_b [5.8830]
_cell_length_c [6.3280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeAg3Hg]
_chemical_formula_sum '[Ce2 Ag6 Hg2]'
_cell_volume [225.0918]
_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  2  0.3385  0.2500  0.3303  1.0
  Ag  Ag1  4  0.1525  0.5011  0.8363  1.0
  Ag  Ag2  2  0.1288  0.7500  0.4549  1.0
  Hg  Hg3  2  0.4384  0.7500  0.1426  1.0
]