data_[Sr12P4I6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  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 [7.5684]
_cell_length_b [13.1002]
_cell_length_c [8.2860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6P2I3N]
_chemical_formula_sum '[Sr12 P4 I6 N2]'
_cell_volume [782.6288]
_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  0.2132  0.1522  0.1830  1.0
  Sr  Sr1  4  0.2434  0.0000  0.8157  1.0
  P  P2  4  0.0000  0.3334  0.0000  1.0
  I  I3  4  0.0000  0.1692  0.5000  1.0
  I  I4  2  0.0000  0.5000  0.5000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]