data_[La1Ag3Au8]
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 [P3m1]
_cell_length_a [5.4863]
_cell_length_b [5.4863]
_cell_length_c [9.5060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LaAg3Au8]
_chemical_formula_sum '[La1 Ag3 Au8]'
_cell_volume [247.7927]
_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  0.4387  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0385  1.0
  Ag  Ag2  1  0.6667  0.3333  0.6029  1.0
  Ag  Ag3  1  0.6667  0.3333  0.9537  1.0
  Au  Au4  3  0.1651  0.3302  0.7498  1.0
  Au  Au5  3  0.5024  0.0049  0.2413  1.0
  Au  Au6  1  0.3333  0.6667  0.4969  1.0
  Au  Au7  1  0.3333  0.6667  0.9960  1.0
]