data_[Ac2Pr6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5672]
_cell_length_b [8.0397]
_cell_length_c [7.4440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(PrSe2)3]
_chemical_formula_sum '[Ac2 Pr6 Se12]'
_cell_volume [689.1854]
_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  0.0000  0.5000  0.5000  1
  Pr  Pr1  4  0.2492  0.0000  0.8122  1
  Pr  Pr2  2  0.0000  0.0000  0.0000  1
  Se  Se3  8  0.0966  0.2487  0.8527  1
  Se  Se4  4  0.2421  0.0000  0.4182  1
]