data_[La12Ag4Hg4]
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 [12.3998]
_cell_length_b [5.1005]
_cell_length_c [10.0777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3AgHg]
_chemical_formula_sum '[La12 Ag4 Hg4]'
_cell_volume [633.0251]
_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  0.0742  0.5000  0.8552  1.0
  La  La1  4  0.1216  0.0000  0.1727  1.0
  La  La2  4  0.1473  0.0000  0.5927  1.0
  Ag  Ag3  4  0.2371  0.0000  0.9045  1.0
  Hg  Hg4  4  0.0900  0.5000  0.4044  1.0
]