data_[Li7Pt1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3484]
_cell_length_b [4.3484]
_cell_length_c [9.8229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Li7PtAu2]
_chemical_formula_sum '[Li7 Pt1 Au2]'
_cell_volume [160.8518]
_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  1  0.0000  0.0000  0.1425  1
  Li  Li1  1  0.0000  0.0000  0.3952  1
  Li  Li2  1  0.0000  0.0000  0.9052  1
  Li  Li3  1  0.3333  0.6667  0.5490  1
  Li  Li4  1  0.3333  0.6667  0.9699  1
  Li  Li5  1  0.6667  0.3333  0.3188  1
  Li  Li6  1  0.6667  0.3333  0.7607  1
  Pt  Pt7  1  0.6667  0.3333  0.0452  1
  Au  Au8  1  0.0000  0.0000  0.6494  1
  Au  Au9  1  0.3333  0.6667  0.2476  1
]