data_[La12Ni2Au4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  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 [6.8514]
_cell_length_b [7.6376]
_cell_length_c [12.4626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6NiAu2N]
_chemical_formula_sum '[La12 Ni2 Au4 N2]'
_cell_volume [551.9271]
_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  0.1126  0.2095  0.9444  1.0
  La  La1  4  0.2539  0.6746  0.9423  1.0
  La  La2  4  0.3601  0.0314  0.7345  1.0
  Ni  Ni3  2  0.5000  0.0000  0.0000  1.0
  Au  Au4  4  0.1826  0.0959  0.2381  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]