data_[Ce20Ga8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.3074]
_cell_length_b [7.6614]
_cell_length_c [7.7810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce5(GaHg)2]
_chemical_formula_sum '[Ce20 Ga8 Hg8]'
_cell_volume [972.1425]
_cell_formula_units_Z [4]
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  16  0.1302  0.1890  0.3215  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  8  0.0000  0.1137  0.6175  1.0
  Hg  Hg3  8  0.2200  0.0000  0.0000  1.0
]