data_[Sr2In4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5208]
_cell_length_b [11.4818]
_cell_length_c [7.4952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(InI4)2]
_chemical_formula_sum '[Sr2 In4 I16]'
_cell_volume [1233.9632]
_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  0.0000  0.0000  1.0
  In  In1  4  0.2040  0.0000  0.6617  1.0
  I  I2  8  0.1046  0.1903  0.7643  1.0
  I  I3  4  0.1149  0.5000  0.1806  1.0
  I  I4  4  0.2014  0.0000  0.2894  1.0
]