data_[Sc2Sb2I2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9857]
_cell_length_b [6.0583]
_cell_length_c [8.2563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScSbIO2]
_chemical_formula_sum '[Sc2 Sb2 I2 O4]'
_cell_volume [248.6583]
_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
[
  Sc  Sc0  2  0.4756  0.7500  0.9359  1
  Sb  Sb1  2  0.0106  0.2500  0.7942  1
  I  I2  2  0.2566  0.2500  0.3615  1
  O  O3  4  0.2675  0.0349  0.9137  1
]