data_[Ac8Tb8Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [19.0090]
_cell_length_b [8.3167]
_cell_length_c [7.3624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ac2Tb2Se5]
_chemical_formula_sum '[Ac8 Tb8 Se20]'
_cell_volume [1163.9279]
_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  8  0.0974  0.5579  0.9860  1
  Tb  Tb1  4  0.0000  0.0000  0.0149  1
  Tb  Tb2  4  0.2500  0.1042  0.9622  1
  Se  Se3  8  0.0256  0.2228  0.7366  1
  Se  Se4  8  0.1442  0.5950  0.5789  1
  Se  Se5  4  0.2500  0.0756  0.5841  1
]