data_[Ce4Ag2Hg2Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0283]
_cell_length_b [4.0715]
_cell_length_c [8.1144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2AgHgIr]
_chemical_formula_sum '[Ce4 Ag2 Hg2 Ir2]'
_cell_volume [247.6128]
_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  0.0006  0.7500  0.7112  1.0
  Ce  Ce1  2  0.3518  0.2500  0.1215  1.0
  Ag  Ag2  2  0.3607  0.7500  0.4559  1.0
  Hg  Hg3  2  0.3127  0.2500  0.6999  1.0
  Ir  Ir4  2  0.1086  0.7500  0.1112  1.0
]