data_[Te2Se4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.3941]
_cell_length_b [3.2520]
_cell_length_c [16.5251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TeSe2N]
_chemical_formula_sum '[Te2 Se4 N2]'
_cell_volume [181.4595]
_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
[
  Te  Te0  2  0.3782  0.0000  0.7594  1
  Se  Se1  2  0.0339  0.5000  0.0673  1
  Se  Se2  2  0.2236  0.5000  0.4463  1
  N  N3  2  0.3407  0.5000  0.6824  1
]