data_[La2Ag1Ge2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5727]
_cell_length_b [4.5727]
_cell_length_c [7.9778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [La2AgGe2Au]
_chemical_formula_sum '[La2 Ag1 Ge2 Au1]'
_cell_volume [144.4675]
_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
[
  La  La0  1  0.0000  0.0000  0.2580  1
  La  La1  1  0.0000  0.0000  0.7552  1
  Ag  Ag2  1  0.3333  0.6667  0.9931  1
  Ge  Ge3  1  0.3333  0.6667  0.5411  1
  Ge  Ge4  1  0.6667  0.3333  0.0398  1
  Au  Au5  1  0.6667  0.3333  0.4935  1
]