data_[Cs2Ho2Sc2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.6866]
_cell_length_b [12.9762]
_cell_length_c [9.0914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsHoScI6]
_chemical_formula_sum '[Cs2 Ho2 Sc2 I12]'
_cell_volume [905.8826]
_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
[
  Cs  Cs0  2  0.0000  1.0000  0.5000  1.0
  Ho  Ho1  2  0.0000  0.6512  0.0000  1.0
  Sc  Sc2  2  0.0000  0.3476  0.0000  1.0
  I  I3  4  0.1233  0.4954  0.7841  1.0
  I  I4  4  0.1649  0.1798  0.8160  1.0
  I  I5  4  0.1722  0.8238  0.8187  1.0
]