data_[Li4La12Hg4]
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 [Cmcm]
_cell_length_a [5.4362]
_cell_length_b [20.6737]
_cell_length_c [5.4537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiLa3Hg]
_chemical_formula_sum '[Li4 La12 Hg4]'
_cell_volume [612.9254]
_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
[
  Li  Li0  4  0.0000  0.1501  0.7500  1
  La  La1  4  0.0000  0.0572  0.2500  1
  La  La2  4  0.0000  0.2492  0.2500  1
  La  La3  4  0.0000  0.4383  0.2500  1
  Hg  Hg4  4  0.0000  0.3455  0.7500  1
]