data_[La16Ag4Hg2]
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 [19.0359]
_cell_length_b [5.3625]
_cell_length_c [7.4272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Ag2Hg]
_chemical_formula_sum '[La16 Ag4 Hg2]'
_cell_volume [718.2366]
_cell_formula_units_Z [2]
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  0.0214  0.0000  0.7656  1.0
  La  La1  4  0.0886  0.5000  0.4688  1.0
  La  La2  4  0.1714  0.5000  0.9897  1.0
  La  La3  4  0.1960  0.0000  0.3223  1.0
  Ag  Ag4  4  0.1759  0.0000  0.7185  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]