data_[Sr24As9I12N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9667]
_cell_length_b [8.9667]
_cell_length_c [23.7688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr8As3I4N]
_chemical_formula_sum '[Sr24 As9 I12 N3]'
_cell_volume [1655.0075]
_cell_formula_units_Z [3]
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  18  0.0272  0.5136  0.7287  1
  Sr  Sr1  6  0.0000  0.0000  0.2669  1
  As  As2  9  0.0000  0.5000  0.0000  1
  I  I3  9  0.0000  0.5000  0.5000  1
  I  I4  3  -0.0000  -0.0000  0.5000  1
  N  N5  3  -0.0000  -0.0000  0.0000  1
]