data_[La16Mg4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [9.2481]
_cell_length_b [9.2481]
_cell_length_c [10.8953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [La4MgAu]
_chemical_formula_sum '[La16 Mg4 Au4]'
_cell_volume [931.8371]
_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  8  0.0000  0.3258  0.0136  1
  La  La1  8  0.0000  0.3376  0.4872  1
  Mg  Mg2  4  0.0000  0.0000  0.5030  1
  Au  Au3  4  0.0000  0.0000  0.9955  1
]