data_[Li4Ga1Pb1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4913]
_cell_length_b [4.4913]
_cell_length_c [6.6630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li4GaPbAu2]
_chemical_formula_sum '[Li4 Ga1 Pb1 Au2]'
_cell_volume [134.4049]
_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  0.2226  1
  Li  Li1  1  0.0000  0.0000  0.5000  1
  Li  Li2  1  0.5000  0.5000  0.0000  1
  Ga  Ga3  1  0.0000  0.0000  0.0000  1
  Pb  Pb4  1  0.5000  0.5000  0.5000  1
  Au  Au5  2  0.0000  0.5000  0.7851  1
]