data_[K2Ce4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2016]
_cell_length_b [3.5301]
_cell_length_c [6.0217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCe2Hg]
_chemical_formula_sum '[K2 Ce4 Hg2]'
_cell_volume [254.8970]
_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
[
  K  K0  2  0.0000  0.5000  0.0000  1
  Ce  Ce1  4  0.2325  0.5000  0.6706  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
]