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 [Cc]
_cell_length_a [5.2455]
_cell_length_b [8.2609]
_cell_length_c [6.6429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li2PAu]
_chemical_formula_sum '[Li8 P4 Au4]'
_cell_volume [287.3447]
_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  0.1212  0.3968  0.0510  1.0
  Li  Li1  4  0.1534  0.1015  0.8401  1.0
  P  P2  4  0.3927  0.1367  0.1974  1.0
  Au  Au3  4  0.1290  0.2470  0.4407  1.0
]