data_[La4Pt1Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0260]
_cell_length_b [4.7779]
_cell_length_c [11.4647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La4PtAu3]
_chemical_formula_sum '[La4 Pt1 Au3]'
_cell_volume [220.5338]
_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  0.1339  1.0
  La  La1  1  0.0000  0.5000  0.8740  1.0
  La  La2  1  0.5000  0.0000  0.6356  1.0
  La  La3  1  0.5000  0.5000  0.3543  1.0
  Pt  Pt4  1  0.5000  0.5000  0.0907  1.0
  Au  Au5  1  0.0000  0.0000  0.4120  1.0
  Au  Au6  1  0.0000  0.5000  0.5873  1.0
  Au  Au7  1  0.5000  0.0000  0.9122  1.0
]