data_[Ac4Ho4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ho  1.2300  1.7500  1.0410
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7537]
_cell_length_b [3.9987]
_cell_length_c [9.7181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcHoI]
_chemical_formula_sum '[Ac4 Ho4 I4]'
_cell_volume [420.2583]
_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
[
  Ac  Ac0  4  0.0811  0.0000  0.8259  1
  Ho  Ho1  4  0.1448  0.5000  0.5347  1
  I  I2  4  0.1547  0.5000  0.1900  1
]