data_[La13Hg2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6657]
_cell_length_b [8.7634]
_cell_length_c [9.8405]
_cell_angle_alpha [68.8262]
_cell_angle_beta [77.6340]
_cell_angle_gamma [81.7460]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La13Hg2]
_chemical_formula_sum '[La13 Hg2]'
_cell_volume [522.1981]
_cell_formula_units_Z [1]
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  2  0.0585  0.4206  0.7088  1.0
  La  La1  2  0.2095  0.1817  0.2303  1.0
  La  La2  2  0.2488  0.5961  0.9512  1.0
  La  La3  2  0.2869  0.9819  0.6492  1.0
  La  La4  2  0.4558  0.3689  0.4189  1.0
  La  La5  2  0.4769  0.7924  0.1491  1.0
  La  La6  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg7  2  0.1254  0.7894  0.4481  1.0
]