data_[Li4Sn5Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6455]
_cell_length_b [3.1798]
_cell_length_c [9.4281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li4Sn5Au2]
_chemical_formula_sum '[Li4 Sn5 Au2]'
_cell_volume [229.0326]
_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  0.2074  0.5000  0.4143  1.0
  Li  Li1  2  0.2123  0.5000  0.8576  1.0
  Sn  Sn2  2  0.1321  0.0000  0.1320  1.0
  Sn  Sn3  2  0.4592  0.0000  0.6637  1.0
  Sn  Sn4  1  0.5000  0.0000  0.0000  1.0
  Au  Au5  2  0.0935  0.0000  0.6335  1.0
]