data_[La24Ag8Hg4]
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 [Immm]
_cell_length_a [10.3259]
_cell_length_b [10.4528]
_cell_length_c [10.6674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La6Ag2Hg]
_chemical_formula_sum '[La24 Ag8 Hg4]'
_cell_volume [1151.3890]
_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  8  0.0000  0.2778  0.3266  1
  La  La1  8  0.1780  0.2692  0.0000  1
  La  La2  8  0.1964  0.0000  0.2514  1
  Ag  Ag3  4  0.0000  0.5000  0.1315  1
  Ag  Ag4  4  0.1416  0.5000  0.5000  1
  Hg  Hg5  2  0.0000  0.0000  0.0000  1
  Hg  Hg6  2  0.0000  0.0000  0.5000  1
]