data_[Ni16Te12N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2612]
_cell_length_b [10.5678]
_cell_length_c [8.8878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ni4Te3N2]
_chemical_formula_sum '[Ni16 Te12 N8]'
_cell_volume [588.0845]
_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
[
  Ni  Ni0  8  0.1920  0.0411  0.4360  1
  Ni  Ni1  4  0.0231  0.7500  0.3522  1
  Ni  Ni2  4  0.2072  0.7500  0.5856  1
  Te  Te3  8  0.0558  0.5604  0.1778  1
  Te  Te4  4  0.1151  0.7500  0.8558  1
  N  N5  8  0.0637  0.6182  0.4946  1
]