data_[Ac8Th4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8390]
_cell_length_b [15.1597]
_cell_length_c [14.5920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac2ThSe5]
_chemical_formula_sum '[Ac8 Th4 Se20]'
_cell_volume [1291.6474]
_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  0.0000  0.1429  0.5634  1
  Th  Th1  4  0.0000  0.1885  0.2500  1
  Se  Se2  8  0.0000  0.0487  0.1215  1
  Se  Se3  8  0.0000  0.2994  0.0826  1
  Se  Se4  4  0.0000  0.2602  0.7500  1
]