data_[Li4La2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.2085]
_cell_length_b [8.2085]
_cell_length_c [3.3127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2LaHg2]
_chemical_formula_sum '[Li4 La2 Hg4]'
_cell_volume [223.2068]
_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
[
  Li  Li0  4  0.1156  0.6156  0.0000  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1794  0.3206  0.5000  1.0
]