data_[La6Ag45Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.8104]
_cell_length_b [9.8104]
_cell_length_c [14.2962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Ag15Hg2]
_chemical_formula_sum '[La6 Ag45 Hg6]'
_cell_volume [1191.5784]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3474  1
  Ag  Ag1  18  0.0000  0.3074  0.0000  1
  Ag  Ag2  18  0.0080  0.5040  0.1534  1
  Ag  Ag3  9  0.0000  0.5000  0.5000  1
  Hg  Hg4  6  0.0000  0.0000  0.1059  1
]