data_[Ac2Tb12Ho8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.8030]
_cell_length_b [7.8030]
_cell_length_c [12.8495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Ac(Tb3Ho2)2]
_chemical_formula_sum '[Ac2 Tb12 Ho8]'
_cell_volume [782.3636]
_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
[
  Tb  Tb0  8  0.2419  0.2419  0.1913  1
  Tb  Tb1  4  0.0000  0.5000  0.0000  1
  Ac  Ac2  2  0.0000  0.0000  0.5000  1
  Ho  Ho3  8  0.1612  0.1612  0.9255  1
]