data_[La8Ag4Hg20]
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 [Cmcm]
_cell_length_a [4.3209]
_cell_length_b [19.1688]
_cell_length_c [10.3798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La2AgHg5]
_chemical_formula_sum '[La8 Ag4 Hg20]'
_cell_volume [859.7157]
_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  0.0000  0.0000  0.0000  1
  La  La1  4  0.0000  0.1885  0.2500  1
  Ag  Ag2  4  0.0000  0.4526  0.7500  1
  Hg  Hg3  8  0.0000  0.2062  0.6034  1
  Hg  Hg4  8  0.0000  0.3696  0.5276  1
  Hg  Hg5  4  0.0000  0.4032  0.2500  1
]