data_[Zn4Sn4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.9114]
_cell_length_b [6.8146]
_cell_length_c [5.5403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [ZnSnN2]
_chemical_formula_sum '[Zn4 Sn4 N8]'
_cell_volume [223.1872]
_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
[
  Zn  Zn0  4  0.0829  0.6250  0.9988  1.0
  Sn  Sn1  4  0.0873  0.1250  0.9993  1.0
  N  N2  4  0.0806  0.6242  0.3739  1.0
  N  N3  4  0.0823  0.1256  0.3781  1.0
]