data_[Zn6W2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.5854]
_cell_length_b [5.6996]
_cell_length_c [5.3782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Zn3WN4]
_chemical_formula_sum '[Zn6 W2 N8]'
_cell_volume [201.8657]
_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  0.2486  0.1678  0.2306  1.0
  Zn  Zn1  2  0.0000  0.3335  0.7297  1.0
  W  W2  2  0.0000  0.6702  0.2294  1.0
  N  N3  4  0.2363  0.8265  0.1136  1.0
  N  N4  2  0.0000  0.3575  0.1131  1.0
  N  N5  2  0.0000  0.6713  0.5787  1.0
]