data_[Ho8C2I8Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9899]
_cell_length_b [3.9046]
_cell_length_c [8.3204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho4CI4Br]
_chemical_formula_sum '[Ho8 C2 I8 Br2]'
_cell_volume [602.9078]
_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
[
  Ho  Ho0  4  0.0009  0.0000  0.8042  1
  Ho  Ho1  4  0.1286  0.5000  0.0650  1
  C  C2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1624  0.0000  0.3484  1
  I  I4  4  0.1675  0.0000  0.8165  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]