data_[La2Zn1Au1]
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 [Pm]
_cell_length_a [3.9941]
_cell_length_b [4.7239]
_cell_length_c [6.1287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La2ZnAu]
_chemical_formula_sum '[La2 Zn1 Au1]'
_cell_volume [110.6858]
_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  0.2615  0.5000  0.6579  1.0
  La  La1  1  0.9889  0.0000  0.0886  1.0
  Zn  Zn2  1  0.6972  0.0000  0.5264  1.0
  Au  Au3  1  0.5523  0.5000  0.2271  1.0
]