data_[Li2Ga1Au9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0920]
_cell_length_b [4.0920]
_cell_length_c [12.3188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li2GaAu9]
_chemical_formula_sum '[Li2 Ga1 Au9]'
_cell_volume [206.2698]
_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  2  0.0000  0.0000  0.3365  1
  Ga  Ga1  1  0.0000  0.0000  0.0000  1
  Au  Au2  4  0.0000  0.5000  0.1709  1
  Au  Au3  2  0.0000  0.5000  0.5000  1
  Au  Au4  2  0.5000  0.5000  0.3358  1
  Au  Au5  1  0.5000  0.5000  0.0000  1
]