data_[Sr12Al8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnna]
_cell_length_a [5.9127]
_cell_length_b [10.0066]
_cell_length_c [9.5436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [52]
_chemical_formula_structural [Sr3(AlN2)2]
_chemical_formula_sum '[Sr12 Al8 N16]'
_cell_volume [564.6580]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  8  0.1166  0.1551  0.4149  1
  Sr  Sr1  4  0.2500  0.0000  0.0949  1
  Al  Al2  4  0.1691  0.2500  0.7500  1
  Al  Al3  4  0.2500  0.0000  0.7697  1
  N  N4  8  0.0189  0.0973  0.6697  1
  N  N5  8  0.1309  0.6460  0.6275  1
]