data_[Ba6Cd2H1N1]
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
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8950]
_cell_length_b [7.9001]
_cell_length_c [8.0753]
_cell_angle_alpha [60.7191]
_cell_angle_beta [60.8185]
_cell_angle_gamma [89.9748]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba6Cd2HN]
_chemical_formula_sum '[Ba6 Cd2 H1 N1]'
_cell_volume [364.3376]
_cell_formula_units_Z [1]
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  2  0.1877  0.7060  0.0082  1.0
  Ba  Ba1  2  0.2368  0.2290  0.5266  1.0
  Ba  Ba2  2  0.2931  0.1946  0.9943  1.0
  Cd  Cd3  2  0.2501  0.7511  0.4998  1.0
  H  H4  1  0.5000  0.5000  0.0000  1.0
  N  N5  1  0.0000  0.0000  0.0000  1.0
]