data_[Ba4Zn4P4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3772]
_cell_length_b [3.0931]
_cell_length_c [9.6016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaZnPN3]
_chemical_formula_sum '[Ba4 Zn4 P4 N12]'
_cell_volume [351.1580]
_cell_formula_units_Z [4]
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  0.1643  0.5000  0.1578  1
  Zn  Zn1  4  0.1120  0.5000  0.4907  1
  P  P2  4  0.0574  0.0000  0.7455  1
  N  N3  4  0.0801  0.0000  0.3229  1
  N  N4  4  0.0936  0.5000  0.8511  1
  N  N5  4  0.1334  0.0000  0.6340  1
]