data_[La16Ag2Hg4]
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 [19.4414]
_cell_length_b [5.3635]
_cell_length_c [7.2664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8AgHg2]
_chemical_formula_sum '[La16 Ag2 Hg4]'
_cell_volume [721.8176]
_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  0.0154  0.0000  0.7696  1.0
  La  La1  4  0.0877  0.5000  0.4650  1.0
  La  La2  4  0.1649  0.5000  0.9926  1.0
  La  La3  4  0.2004  0.0000  0.3149  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1747  0.0000  0.7257  1.0
]