data_[La5Zn4Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7868]
_cell_length_b [3.7868]
_cell_length_c [18.6341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La5Zn4Au]
_chemical_formula_sum '[La5 Zn4 Au1]'
_cell_volume [267.2042]
_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  2  0.5000  0.5000  0.1007  1
  La  La1  2  0.5000  0.5000  0.2993  1
  La  La2  1  0.5000  0.5000  0.5000  1
  Zn  Zn3  2  0.0000  0.0000  0.2037  1
  Zn  Zn4  2  0.0000  0.0000  0.3993  1
  Au  Au5  1  0.0000  0.0000  0.0000  1
]