data_[Ac12La20Tm8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.0010]
_cell_length_b [14.3824]
_cell_length_c [11.1817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ac3La5Tm2]
_chemical_formula_sum '[Ac12 La20 Tm8]'
_cell_volume [1608.3518]
_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
[
  La  La0  8  0.0000  0.2538  0.2500  1
  La  La1  8  0.1039  0.3901  0.5000  1
  Ac  Ac2  8  0.2459  0.1271  0.5000  1
  Ac  Ac3  4  0.0000  0.0000  0.2500  1
  La  La4  4  0.0000  0.5000  0.2500  1
  Tm  Tm5  8  0.0932  0.1350  0.0000  1
]