data_[Li8P4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6094]
_cell_length_b [7.2397]
_cell_length_c [4.8177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2PAu]
_chemical_formula_sum '[Li8 P4 Au4]'
_cell_volume [265.3881]
_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  0.0997  0.2480  0.8462  1.0
  Li  Li1  2  0.0577  0.0000  0.4047  1.0
  Li  Li2  2  0.1539  0.5000  0.4242  1.0
  P  P3  2  0.3506  0.5000  0.9595  1.0
  P  P4  2  0.3529  0.0000  0.6287  1.0
  Au  Au5  4  0.3524  0.2304  0.2709  1.0
]