data_[Ba8Cd4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5880]
_cell_length_b [8.0461]
_cell_length_c [10.6062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4Cd2N]
_chemical_formula_sum '[Ba8 Cd4 N2]'
_cell_volume [611.7453]
_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  0.4953  0.0081  0.7238  1.0
  Ba  Ba1  2  0.0696  0.7500  0.3428  1.0
  Ba  Ba2  2  0.1349  0.7500  0.9563  1.0
  Cd  Cd3  2  0.1883  0.2500  0.4118  1.0
  Cd  Cd4  2  0.3292  0.2500  0.9681  1.0
  N  N5  2  0.2860  0.7500  0.2072  1.0
]