data_[As2Se2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4244]
_cell_length_b [5.2587]
_cell_length_c [6.0505]
_cell_angle_alpha [91.0338]
_cell_angle_beta [90.6609]
_cell_angle_gamma [96.7219]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsSeN]
_chemical_formula_sum '[As2 Se2 N2]'
_cell_volume [108.1824]
_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
[
  As  As0  2  0.0318  0.5529  0.2933  1
  Se  Se1  2  0.4617  0.0509  0.2073  1
  N  N2  2  0.4286  0.2488  0.6612  1
]