data_[La8Ag8Hg4]
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 [C2/m]
_cell_length_a [11.4365]
_cell_length_b [4.7979]
_cell_length_c [10.8974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ag2Hg]
_chemical_formula_sum '[La8 Ag8 Hg4]'
_cell_volume [548.0128]
_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  0.0281  0.0000  0.3472  1.0
  La  La1  4  0.1836  0.0000  0.1033  1.0
  Ag  Ag2  4  0.0315  0.5000  0.8847  1.0
  Ag  Ag3  4  0.1331  0.5000  0.5718  1.0
  Hg  Hg4  4  0.2265  0.5000  0.3299  1.0
]