data_[Sr2Sc2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [15.4911]
_cell_length_b [4.4236]
_cell_length_c [18.7976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrScI4]
_chemical_formula_sum '[Sr2 Sc2 I8]'
_cell_volume [1288.1393]
_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  0.1366  0.7500  0.9981  1
  Sc  Sc1  2  0.4034  0.2500  0.9955  1
  I  I2  2  0.0418  0.2500  0.1004  1
  I  I3  2  0.2377  0.2500  0.9025  1
  I  I4  2  0.3205  0.7500  0.0858  1
  I  I5  2  0.4588  0.7500  0.8990  1
]