data_[La12Au4N2]
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 [P2_1/c]
_cell_length_a [6.7852]
_cell_length_b [7.5159]
_cell_length_c [12.4849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Au2N]
_chemical_formula_sum '[La12 Au4 N2]'
_cell_volume [534.2350]
_cell_formula_units_Z [2]
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  4  0.1411  0.5268  0.7647  1.0
  La  La1  4  0.2391  0.1736  0.5527  1.0
  La  La2  4  0.3854  0.7064  0.5539  1.0
  Au  Au3  4  0.3208  0.5986  0.2567  1.0
  N  N4  2  0.5000  0.0000  0.5000  1.0
]