data_[Ba10Nb2H4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nb  1.6000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0505]
_cell_length_b [10.5375]
_cell_length_c [6.4606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba5Nb(HN2)2]
_chemical_formula_sum '[Ba10 Nb2 H4 N8]'
_cell_volume [548.0689]
_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  0.2222  0.1778  0.0989  1.0
  Ba  Ba1  2  0.5000  0.0000  0.5688  1.0
  Nb  Nb2  2  0.0000  0.0000  0.5873  1.0
  H  H3  4  0.5000  0.2464  0.8481  1.0
  N  N4  4  0.0000  0.1547  0.7676  1.0
  N  N5  4  0.1991  0.0000  0.4057  1.0
]