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 [P1]
_cell_length_a [5.6784]
_cell_length_b [5.7763]
_cell_length_c [5.7924]
_cell_angle_alpha [78.8688]
_cell_angle_beta [60.7184]
_cell_angle_gamma [65.5558]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiP2Au]
_chemical_formula_sum '[Li2 P4 Au2]'
_cell_volume [150.8489]
_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  1  0.4293  0.4813  0.0129  1.0
  Li  Li1  1  0.7461  0.7970  0.5319  1.0
  P  P2  1  0.1131  0.9614  0.8564  1.0
  P  P3  1  0.1472  0.9920  0.2192  1.0
  P  P4  1  0.9240  0.4172  0.2109  1.0
  P  P5  1  0.9949  0.3867  0.8010  1.0
  Au  Au6  1  0.4468  0.4269  0.5082  1.0
  Au  Au7  1  0.6367  0.9574  0.0391  1.0
]