data_[La6Hg2Ru2]
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 [P1]
_cell_length_a [6.3214]
_cell_length_b [6.5260]
_cell_length_c [8.0481]
_cell_angle_alpha [103.5140]
_cell_angle_beta [104.0010]
_cell_angle_gamma [92.5436]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La3HgRu]
_chemical_formula_sum '[La6 Hg2 Ru2]'
_cell_volume [311.4298]
_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  1  0.0182  0.2839  0.7871  1.0
  La  La1  1  0.3865  0.4607  0.2326  1.0
  La  La2  1  0.4142  0.0149  0.4890  1.0
  La  La3  1  0.5267  0.6169  0.7921  1.0
  La  La4  1  0.8376  0.1150  0.2156  1.0
  La  La5  1  0.9552  0.7387  0.5603  1.0
  Hg  Hg6  1  0.2276  0.9142  0.0189  1.0
  Hg  Hg7  1  0.8904  0.5956  0.1443  1.0
  Ru  Ru8  1  0.1877  0.3706  0.5081  1.0
  Ru  Ru9  1  0.6894  0.3688  0.5127  1.0
]