data_[Ac8Th4Cu4Se20]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1918]
_cell_length_b [17.8988]
_cell_length_c [13.0271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2ThCuSe5]
_chemical_formula_sum '[Ac8 Th4 Cu4 Se20]'
_cell_volume [977.3972]
_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  4  0.0000  0.1176  0.3450  1
  Ac  Ac1  4  0.0000  0.1185  0.6984  1
  Th  Th2  4  0.0000  0.1784  0.0249  1
  Cu  Cu3  4  0.0000  0.4454  0.4211  1
  Se  Se4  4  0.0000  0.0194  0.0116  1
  Se  Se5  4  0.0000  0.3035  0.6860  1
  Se  Se6  4  0.0000  0.3114  0.3628  1
  Se  Se7  4  0.0000  0.3433  0.0211  1
  Se  Se8  4  0.0000  0.4949  0.7530  1
]