data_[Sc4As4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5150]
_cell_length_b [6.1781]
_cell_length_c [6.4984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScAsIO4]
_chemical_formula_sum '[Sc4 As4 I4 O16]'
_cell_volume [450.9959]
_cell_formula_units_Z [4]
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  4  0.1980  0.5000  0.8347  1
  As  As1  4  0.1335  0.5000  0.2638  1
  I  I2  4  0.0364  0.0000  0.7081  1
  O  O3  8  0.1826  0.2899  0.1224  1
  O  O4  4  0.0171  0.5000  0.7725  1
  O  O5  4  0.2013  0.5000  0.5237  1
]