data_[Ce16Ga4Hg2]
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 [C2/m]
_cell_length_a [8.3151]
_cell_length_b [13.4790]
_cell_length_c [5.6427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8Ga2Hg]
_chemical_formula_sum '[Ce16 Ga4 Hg2]'
_cell_volume [596.8475]
_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  8  0.1789  0.1048  0.0777  1
  Ce  Ce1  4  0.0000  0.2372  0.5000  1
  Ce  Ce2  4  0.0926  0.5000  0.3375  1
  Ga  Ga3  4  0.0000  0.3113  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
]