data_[Li6Pb1Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7082]
_cell_length_b [5.9652]
_cell_length_c [7.1247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li6PbAu5]
_chemical_formula_sum '[Li6 Pb1 Au5]'
_cell_volume [196.4276]
_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  4  0.1638  0.2572  0.3545  1
  Li  Li1  2  0.5000  0.2678  0.0000  1
  Pb  Pb2  1  0.0000  0.0000  0.0000  1
  Au  Au3  2  0.3475  0.5000  0.6740  1
  Au  Au4  2  0.3629  0.0000  0.6765  1
  Au  Au5  1  0.0000  0.5000  0.0000  1
]