data_[Ce10Hg2Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.6817]
_cell_length_b [8.3828]
_cell_length_c [7.2699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ce5HgRu4]
_chemical_formula_sum '[Ce10 Hg2 Ru8]'
_cell_volume [468.1423]
_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  0.2491  0.2200  0.2413  1
  Ce  Ce1  2  0.0000  0.5000  0.4463  1
  Hg  Hg2  2  0.0000  0.0000  0.9332  1
  Ru  Ru3  4  0.0000  0.3358  0.0470  1
  Ru  Ru4  4  0.1768  0.0000  0.5195  1
]