data_[Al4Se3N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.7935]
_cell_length_b [3.0183]
_cell_length_c [19.0041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al4Se3N2]
_chemical_formula_sum '[Al4 Se3 N2]'
_cell_volume [619.1112]
_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
[
  Al  Al0  1  0.0197  0.5000  0.5214  1
  Al  Al1  1  0.2771  0.0000  0.5141  1
  Al  Al2  1  0.5273  0.5000  0.4923  1
  Al  Al3  1  0.7869  0.5000  0.5126  1
  Se  Se4  1  0.1689  0.5000  0.4246  1
  Se  Se5  1  0.1846  0.5000  0.6090  1
  Se  Se6  1  0.6828  0.5000  0.3983  1
  N  N7  1  0.4421  0.0000  0.5064  1
  N  N8  1  0.9082  0.0000  0.5212  1
]