data_[Li2P4Au2]
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 [P-1]
_cell_length_a [5.4436]
_cell_length_b [5.6902]
_cell_length_c [5.8302]
_cell_angle_alpha [106.7614]
_cell_angle_beta [112.1567]
_cell_angle_gamma [105.1993]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiP2Au]
_chemical_formula_sum '[Li2 P4 Au2]'
_cell_volume [145.4677]
_cell_formula_units_Z [2]
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  0.4678  0.3803  0.7295  1.0
  P  P1  2  0.0166  0.2066  0.0341  1.0
  P  P2  2  0.3270  0.7927  0.8524  1.0
  Au  Au3  2  0.1657  0.8160  0.4193  1.0
]