data_[Te8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9525]
_cell_length_b [6.4704]
_cell_length_c [8.5392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Te2N]
_chemical_formula_sum '[Te8 N4]'
_cell_volume [354.2122]
_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
[
  Te  Te0  4  0.0294  0.1815  0.7623  1
  Te  Te1  4  0.3227  0.0001  0.0477  1
  N  N2  4  0.4383  0.0012  0.5273  1
]