data_[Li12Ag2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6309]
_cell_length_b [4.5421]
_cell_length_c [9.5975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li6AgAu3]
_chemical_formula_sum '[Li12 Ag2 Au6]'
_cell_volume [313.7122]
_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  0.0644  0.7500  0.8897  1
  Li  Li1  2  0.1549  0.7500  0.1828  1
  Li  Li2  2  0.1613  0.2500  0.7146  1
  Li  Li3  2  0.2655  0.7500  0.4982  1
  Li  Li4  2  0.3577  0.2500  0.3154  1
  Li  Li5  2  0.4648  0.7500  0.0883  1
  Ag  Ag6  2  0.0453  0.2500  0.4103  1
  Au  Au7  2  0.2342  0.2500  0.0162  1
  Au  Au8  2  0.3543  0.7500  0.7930  1
  Au  Au9  2  0.4517  0.2500  0.6118  1
]