data_[Li1La2Ge3Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4797]
_cell_length_b [4.4797]
_cell_length_c [10.5547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [LiLa2Ge3Au4]
_chemical_formula_sum '[Li1 La2 Ge3 Au4]'
_cell_volume [211.8061]
_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
  La  La1  2  0.0000  0.5000  0.7581  1
  Ge  Ge2  2  0.0000  0.5000  0.1392  1
  Ge  Ge3  1  0.0000  0.0000  0.5000  1
  Au  Au4  2  0.0000  0.5000  0.3790  1
  Au  Au5  1  0.0000  0.0000  0.0000  1
  Au  Au6  1  0.5000  0.5000  0.0000  1
]