data_[Ac4Tb12Y8]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.3589]
_cell_length_b [11.0481]
_cell_length_c [6.6308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcTb3Y2]
_chemical_formula_sum '[Ac4 Tb12 Y8]'
_cell_volume [832.1206]
_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
[
  Tb  Tb0  8  0.2460  0.5000  0.0000  1
  Ac  Ac1  4  0.0000  0.1141  0.2500  1
  Tb  Tb2  4  0.0000  0.4276  0.2500  1
  Y  Y3  8  0.1546  0.2539  0.7500  1
]