data_[Ac2Ce6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3874]
_cell_length_b [7.9031]
_cell_length_c [12.7082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac(CeSe2)3]
_chemical_formula_sum '[Ac2 Ce6 Se12]'
_cell_volume [632.2039]
_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  0.0000  0.0000  1
  Ce  Ce1  4  0.3017  0.0923  0.7740  1
  Ce  Ce2  2  0.5000  0.0000  0.5000  1
  Se  Se3  4  0.0922  0.0771  0.2611  1
  Se  Se4  4  0.2910  0.6825  0.1043  1
  Se  Se5  4  0.4047  0.1741  0.0600  1
]