data_[Zn28Sn4N24]
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 [Pbcn]
_cell_length_a [10.8483]
_cell_length_b [6.0358]
_cell_length_c [12.4758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [Zn7SnN6]
_chemical_formula_sum '[Zn28 Sn4 N24]'
_cell_volume [816.8870]
_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  8  0.0350  0.2334  0.9584  1
  Zn  Zn1  8  0.2073  0.3644  0.4260  1
  Zn  Zn2  8  0.2425  0.3479  0.1535  1
  Zn  Zn3  4  0.0000  0.4096  0.7500  1
  Sn  Sn4  4  0.0000  0.1013  0.2500  1
  N  N5  8  0.0729  0.1495  0.6508  1
  N  N6  8  0.1331  0.3445  0.2818  1
  N  N7  8  0.1835  0.3506  0.0043  1
]