data_[Ac4Al2Cu2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5650]
_cell_length_b [8.0376]
_cell_length_c [11.6984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac2AlCuSe6]
_chemical_formula_sum '[Ac4 Al2 Cu2 Se12]'
_cell_volume [517.5724]
_cell_formula_units_Z [2]
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  0.3079  0.1229  0.2545  1
  Al  Al1  2  0.5000  0.0000  0.0000  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.1497  0.5140  0.2411  1
  Se  Se4  4  0.2302  0.6557  0.5362  1
  Se  Se5  4  0.3511  0.1667  0.5432  1
]