data_[Ba12P4H2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2873]
_cell_length_b [8.5871]
_cell_length_c [12.5478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6P2HN]
_chemical_formula_sum '[Ba12 P4 H2 N2]'
_cell_volume [649.3403]
_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  0.1177  0.5368  0.2447  1.0
  Ba  Ba1  4  0.2171  0.2051  0.0575  1.0
  Ba  Ba2  4  0.3731  0.6688  0.0613  1.0
  P  P3  4  0.3044  0.6120  0.7489  1.0
  H  H4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]