data_[Cs6Ho2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.0085]
_cell_length_b [9.6020]
_cell_length_c [15.5417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3HoI6]
_chemical_formula_sum '[Cs6 Ho2 I12]'
_cell_volume [1113.1173]
_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  4  0.2867  0.5763  0.2559  1.0
  Cs  Cs1  2  0.5000  0.0000  0.5000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.0988  0.5473  0.7196  1.0
  I  I4  4  0.2300  0.2367  0.5702  1.0
  I  I5  4  0.3217  0.6725  0.5495  1.0
]