data_[Zn8P2Br4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.6083]
_cell_length_b [5.6083]
_cell_length_c [10.7189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Zn4PBr2N]
_chemical_formula_sum '[Zn8 P2 Br4 N2]'
_cell_volume [337.1452]
_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
[
  Zn  Zn0  8  0.1469  0.7771  0.1146  1
  P  P1  2  0.0000  0.5000  0.2500  1
  Br  Br2  2  0.0000  0.0000  0.5000  1
  Br  Br3  2  0.0000  0.5000  0.7500  1
  N  N4  2  0.0000  0.0000  0.0000  1
]