data_[Cu2Te2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3106]
_cell_length_b [5.4815]
_cell_length_c [5.5563]
_cell_angle_alpha [61.8537]
_cell_angle_beta [78.2750]
_cell_angle_gamma [72.0617]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuTeN]
_chemical_formula_sum '[Cu2 Te2 N2]'
_cell_volume [109.8715]
_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
[
  Cu  Cu0  1  0.0469  0.1051  0.3502  1
  Cu  Cu1  1  0.4899  0.4463  0.0844  1
  Te  Te2  1  0.3511  0.4201  0.6209  1
  Te  Te3  1  0.7647  0.8043  0.0587  1
  N  N4  1  0.3661  0.1434  0.0641  1
  N  N5  1  0.7533  0.0907  0.6441  1
]