data_[Sr12As2I6N4]
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 [C2/m]
_cell_length_a [7.3035]
_cell_length_b [12.6422]
_cell_length_c [8.2784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6AsI3N2]
_chemical_formula_sum '[Sr12 As2 I6 N4]'
_cell_volume [730.3466]
_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
[
  Sr  Sr0  8  0.2436  0.1845  0.1775  1.0
  Sr  Sr1  4  0.1903  0.5000  0.1760  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.0000  0.1613  0.5000  1.0
  I  I4  2  0.0000  0.5000  0.5000  1.0
  N  N5  4  0.0000  0.3332  0.0000  1.0
]