data_[La24Au8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6249]
_cell_length_b [13.3592]
_cell_length_c [6.2988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3AuN]
_chemical_formula_sum '[La24 Au8 N8]'
_cell_volume [1059.5019]
_cell_formula_units_Z [8]
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  0.0950  0.3638  0.0682  1.0
  La  La1  8  0.1141  0.0737  0.1015  1.0
  La  La2  8  0.1162  0.1957  0.5933  1.0
  Au  Au3  8  0.1686  0.4180  0.5649  1.0
  N  N4  4  0.0000  0.0650  0.7500  1.0
  N  N5  4  0.0000  0.2215  0.2500  1.0
]