data_[Dy2Sc2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2932]
_cell_length_b [14.5546]
_cell_length_c [7.2925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyScI6]
_chemical_formula_sum '[Dy2 Sc2 I12]'
_cell_volume [733.9362]
_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
[
  Dy  Dy0  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc1  2  0.0000  0.5000  0.5000  1.0
  I  I2  8  0.2392  0.3573  0.7400  1.0
  I  I3  4  0.2456  0.5000  0.2556  1.0
]