data_[Ba12Sb4Pd2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8475]
_cell_length_b [8.6838]
_cell_length_c [13.8280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Sb2PdN]
_chemical_formula_sum '[Ba12 Sb4 Pd2 N2]'
_cell_volume [778.2995]
_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  4  0.1346  0.5307  0.2332  1.0
  Ba  Ba1  4  0.2199  0.2093  0.0490  1.0
  Ba  Ba2  4  0.3451  0.6757  0.0499  1.0
  Sb  Sb3  4  0.2842  0.5842  0.7487  1.0
  Pd  Pd4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]