data_[Ba24Au10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1720]
_cell_length_b [8.5032]
_cell_length_c [10.4715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba12Au5N2]
_chemical_formula_sum '[Ba24 Au10 N4]'
_cell_volume [1548.5367]
_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
[
  Ba  Ba0  8  0.1511  0.2493  0.5730  1.0
  Ba  Ba1  8  0.1588  0.2569  0.0809  1.0
  Ba  Ba2  4  0.0002  0.5000  0.1883  1.0
  Ba  Ba3  4  0.0025  0.0000  0.8205  1.0
  Au  Au4  4  0.1881  0.5000  0.8394  1.0
  Au  Au5  4  0.1927  0.5000  0.3493  1.0
  Au  Au6  2  0.0000  0.0000  0.5000  1.0
  N  N7  4  0.0000  0.2406  0.0000  1.0
]