data_[Sr4Sn2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.6981]
_cell_length_b [7.6981]
_cell_length_c [14.8016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Sr2SnI6]
_chemical_formula_sum '[Sr4 Sn2 I12]'
_cell_volume [877.1487]
_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  4  0.0000  0.0000  0.3333  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1950  0.8050  0.1628  1.0
  I  I3  4  0.2026  0.7974  0.5000  1.0
]