data_[Li6La4Hg4]
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 [C2/m]
_cell_length_a [11.0798]
_cell_length_b [4.7872]
_cell_length_c [7.1428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(LaHg)2]
_chemical_formula_sum '[Li6 La4 Hg4]'
_cell_volume [351.3597]
_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  0.1234  0.5000  0.4297  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  La  La2  4  0.1428  0.0000  0.7711  1.0
  Hg  Hg3  4  0.1475  0.0000  0.2259  1.0
]