data_[La20Sn8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.6068]
_cell_length_b [8.4294]
_cell_length_c [8.4817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La5(SnHg)2]
_chemical_formula_sum '[La20 Sn8 Hg8]'
_cell_volume [1187.3168]
_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  16  0.1374  0.1824  0.6704  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  8  0.0000  0.1249  0.3725  1.0
  Hg  Hg3  8  0.2090  0.0000  0.0000  1.0
]