data_[Ac4La8Cd4Se20]
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
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2556]
_cell_length_b [18.5721]
_cell_length_c [12.8790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AcLa2CdSe5]
_chemical_formula_sum '[Ac4 La8 Cd4 Se20]'
_cell_volume [1017.8915]
_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  4  0.0000  0.1112  0.6836  1
  La  La1  4  0.0000  0.1254  0.3093  1
  Ac  Ac2  4  0.0000  0.2032  0.0086  1
  Cd  Cd3  4  0.0000  0.4584  0.4559  1
  Se  Se4  4  0.0000  0.0435  0.0752  1
  Se  Se5  4  0.0000  0.2895  0.6842  1
  Se  Se6  4  0.0000  0.3221  0.3392  1
  Se  Se7  4  0.0000  0.3673  0.0012  1
  Se  Se8  4  0.0000  0.4931  0.7668  1
]