data_[Sr2Sn2I8]
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 [C2/m]
_cell_length_a [17.2390]
_cell_length_b [4.7141]
_cell_length_c [8.1957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSnI4]
_chemical_formula_sum '[Sr2 Sn2 I8]'
_cell_volume [587.4600]
_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  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.1183  0.5000  0.9573  1.0
  I  I3  4  0.1194  0.0000  0.4437  1.0
]