data_[Ac6Ho2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3701]
_cell_length_b [8.0350]
_cell_length_c [12.9867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac3HoSe6]
_chemical_formula_sum '[Ac6 Ho2 Se12]'
_cell_volume [646.4352]
_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
[
  Ac  Ac0  4  0.2082  0.5928  0.2458  1
  Ac  Ac1  2  0.5000  0.0000  0.5000  1
  Ho  Ho2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0931  0.6948  0.9254  1
  Se  Se4  4  0.2331  0.1804  0.9241  1
  Se  Se5  4  0.3857  0.5574  0.7371  1
]