data_[Li4Hg1Bi3Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4778]
_cell_length_b [4.4778]
_cell_length_c [12.9423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li4HgBi3Pb2]
_chemical_formula_sum '[Li4 Hg1 Bi3 Pb2]'
_cell_volume [259.5072]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.3574  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Li  Li2  1  0.5000  0.5000  0.0000  1
  Hg  Hg3  1  0.5000  0.5000  0.5000  1
  Bi  Bi4  2  0.0000  0.5000  0.1461  1
  Bi  Bi5  1  0.0000  0.0000  0.5000  1
  Pb  Pb6  2  0.0000  0.5000  0.7626  1
]