data_[Ho4Cu8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3951]
_cell_length_b [12.8280]
_cell_length_c [7.3664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho(CuI3)2]
_chemical_formula_sum '[Ho4 Cu8 I24]'
_cell_volume [1532.7291]
_cell_formula_units_Z [4]
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  0.0000  0.0928  0.7500  1.0
  Cu  Cu1  8  0.1147  0.4234  0.7996  1.0
  I  I2  8  0.1082  0.0753  0.1159  1.0
  I  I3  8  0.1176  0.2528  0.6309  1.0
  I  I4  8  0.1242  0.4062  0.1432  1.0
]