data_[La8Hg4Ru2]
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/m]
_cell_length_a [6.4798]
_cell_length_b [6.8610]
_cell_length_c [9.9999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La4Hg2Ru]
_chemical_formula_sum '[La8 Hg4 Ru2]'
_cell_volume [432.6230]
_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
[
  La  La0  4  0.2381  0.0024  0.7490  1.0
  La  La1  2  0.1897  0.7500  0.0997  1.0
  La  La2  2  0.3042  0.2500  0.4126  1.0
  Hg  Hg3  2  0.1671  0.7500  0.4491  1.0
  Hg  Hg4  2  0.3696  0.2500  0.0428  1.0
  Ru  Ru5  2  0.0284  0.2500  0.1711  1.0
]