data_[La12Hg4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8419]
_cell_length_b [7.1123]
_cell_length_c [10.1129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3HgRu]
_chemical_formula_sum '[La12 Hg4 Ru4]'
_cell_volume [609.3690]
_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
[
  La  La0  4  0.1073  0.5604  0.7811  1.0
  La  La1  4  0.1914  0.2423  0.0459  1.0
  La  La2  4  0.4359  0.7389  0.1050  1.0
  Hg  Hg3  4  0.2662  0.5334  0.3125  1.0
  Ru  Ru4  4  0.1275  0.7438  0.5278  1.0
]