data_[Zn6P2N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.2523]
_cell_length_b [5.4708]
_cell_length_c [5.2093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Zn3PN4]
_chemical_formula_sum '[Zn6 P2 N8]'
_cell_volume [178.1829]
_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  4  0.2482  0.6706  0.9991  1
  Zn  Zn1  2  0.0000  0.8483  0.5013  1
  P  P2  2  0.0000  0.1755  0.0025  1
  N  N3  4  0.2177  0.3161  0.1092  1
  N  N4  2  0.0000  0.1794  0.6852  1
  N  N5  2  0.0000  0.8892  0.1096  1
]