data_[Cs1Ba2Ho1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7036]
_cell_length_b [10.6897]
_cell_length_c [7.9257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsBa2HoI8]
_chemical_formula_sum '[Cs1 Ba2 Ho1 I8]'
_cell_volume [652.6712]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Ba  Ba1  2  0.5000  0.2449  0.5000  1.0
  Ho  Ho2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2314  0.2003  0.8524  1.0
  I  I4  2  0.2340  0.0000  0.3203  1.0
  I  I5  2  0.2545  0.5000  0.3978  1.0
]