data_[Cd4Te4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4280]
_cell_length_b [3.5715]
_cell_length_c [7.7894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdTeN]
_chemical_formula_sum '[Cd4 Te4 N4]'
_cell_volume [266.6311]
_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
[
  Cd  Cd0  2  0.0809  0.0000  0.6508  1
  Cd  Cd1  2  0.1667  0.5000  0.1393  1
  Te  Te2  2  0.2979  0.0000  0.4576  1
  Te  Te3  2  0.3751  0.5000  0.9012  1
  N  N4  2  0.1716  0.5000  0.8488  1
  N  N5  2  0.4311  0.0000  0.0624  1
]