data_[La4Ge2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [6.1891]
_cell_length_b [4.5357]
_cell_length_c [8.5352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2GeAu]
_chemical_formula_sum '[La4 Ge2 Au2]'
_cell_volume [223.5706]
_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
[
  La  La0  2  0.2060  0.2500  0.4334  1.0
  La  La1  2  0.2971  0.7500  0.0749  1.0
  Ge  Ge2  2  0.1181  0.2500  0.7955  1.0
  Au  Au3  2  0.3656  0.7500  0.7093  1.0
]