data_[Te2Br3N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.0960]
_cell_length_b [6.8403]
_cell_length_c [12.9090]
_cell_angle_alpha [103.4024]
_cell_angle_beta [95.8334]
_cell_angle_gamma [90.7685]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te2Br3N2]
_chemical_formula_sum '[Te2 Br3 N2]'
_cell_volume [264.3653]
_cell_formula_units_Z [1]
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  2  0.3894  0.7223  0.7587  1
  Br  Br1  2  0.3317  0.3351  0.6502  1
  Br  Br2  1  0.0000  0.0000  0.0000  1
  N  N3  2  0.1390  0.1847  0.3149  1
]