data_[Ac2Tb6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.7583]
_cell_length_b [4.2359]
_cell_length_c [12.0721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac(TbSe2)3]
_chemical_formula_sum '[Ac2 Tb6 Se12]'
_cell_volume [568.1570]
_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  0.0524  0.2500  0.6975  1
  Tb  Tb1  2  0.1599  0.2500  0.0890  1
  Tb  Tb2  2  0.3219  0.7500  0.5004  1
  Tb  Tb3  2  0.4480  0.2500  0.8345  1
  Se  Se4  2  0.0844  0.7500  0.9102  1
  Se  Se5  2  0.1242  0.2500  0.4648  1
  Se  Se6  2  0.2005  0.7500  0.2495  1
  Se  Se7  2  0.2728  0.7500  0.7310  1
  Se  Se8  2  0.3902  0.2500  0.0535  1
  Se  Se9  2  0.4808  0.2500  0.6122  1
]