data_[La4Ag8Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.4379]
_cell_length_b [4.6067]
_cell_length_c [10.7339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaAg2Au]
_chemical_formula_sum '[La4 Ag8 Au4]'
_cell_volume [367.7895]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.5832  1.0
  La  La1  2  0.5000  0.0000  0.7533  1.0
  Ag  Ag2  4  0.3072  0.0000  0.0380  1.0
  Ag  Ag3  2  0.0000  0.0000  0.8765  1.0
  Ag  Ag4  2  0.5000  0.0000  0.4601  1.0
  Au  Au5  4  0.1969  0.0000  0.2898  1.0
]