data_[Ba2Ac6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.3212]
_cell_length_b [4.8330]
_cell_length_c [13.9153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(AcTe2)3]
_chemical_formula_sum '[Ba2 Ac6 Te12]'
_cell_volume [847.7437]
_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
[
  Ba  Ba0  2  0.0485  0.2500  0.6929  1
  Ac  Ac1  2  0.1587  0.2500  0.0815  1
  Ac  Ac2  2  0.3207  0.7500  0.5013  1
  Ac  Ac3  2  0.4369  0.2500  0.8321  1
  Te  Te4  2  0.0853  0.7500  0.9050  1
  Te  Te5  2  0.1299  0.2500  0.4619  1
  Te  Te6  2  0.2055  0.7500  0.2512  1
  Te  Te7  2  0.2627  0.7500  0.7248  1
  Te  Te8  2  0.3954  0.2500  0.0564  1
  Te  Te9  2  0.4908  0.2500  0.6185  1
]