data_[Ac2Dy6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.6979]
_cell_length_b [4.2112]
_cell_length_c [12.0040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac(DySe2)3]
_chemical_formula_sum '[Ac2 Dy6 Se12]'
_cell_volume [558.6429]
_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  2  0.4473  0.7500  0.8021  1
  Dy  Dy1  2  0.0515  0.7500  0.6653  1
  Dy  Dy2  2  0.1779  0.2500  0.9995  1
  Dy  Dy3  2  0.3400  0.7500  0.4108  1
  Se  Se4  2  0.0193  0.7500  0.8878  1
  Se  Se5  2  0.1102  0.7500  0.4467  1
  Se  Se6  2  0.2263  0.2500  0.7687  1
  Se  Se7  2  0.2988  0.2500  0.2506  1
  Se  Se8  2  0.3750  0.7500  0.0350  1
  Se  Se9  2  0.4158  0.2500  0.5891  1
]