data_[Li1Ge1Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0190]
_cell_length_b [5.3910]
_cell_length_c [5.5686]
_cell_angle_alpha [90.6874]
_cell_angle_beta [98.6627]
_cell_angle_gamma [92.6378]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiGeAu6]
_chemical_formula_sum '[Li1 Ge1 Au6]'
_cell_volume [148.7690]
_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  0.5000  0.5000  0.5000  1
  Ge  Ge1  1  0.0000  0.0000  0.0000  1
  Au  Au2  2  0.0225  0.7513  0.4359  1
  Au  Au3  2  0.2455  0.5812  0.9175  1
  Au  Au4  2  0.4949  0.0331  0.7454  1
]