data_[Ba12As2P4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7275]
_cell_length_b [8.2754]
_cell_length_c [13.5031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6AsP2N]
_chemical_formula_sum '[Ba12 As2 P4 N2]'
_cell_volume [720.0727]
_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  0.0960  0.7016  0.4281  1.0
  Ba  Ba1  4  0.2202  0.1711  0.4307  1.0
  Ba  Ba2  4  0.3695  0.5664  0.2319  1.0
  As  As3  2  0.5000  0.0000  0.0000  1.0
  P  P4  4  0.2166  0.5788  0.7464  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]