data_[Ba2Ac4Pr6Te12]
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
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3535]
_cell_length_b [4.6286]
_cell_length_c [9.4081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAc2(PrTe2)3]
_chemical_formula_sum '[Ba2 Ac4 Pr6 Te12]'
_cell_volume [861.2775]
_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  0.0000  0.5000  0.0000  1
  Ac  Ac1  4  0.1684  0.0000  0.3357  1
  Pr  Pr2  4  0.1645  0.0000  0.8265  1
  Pr  Pr3  2  0.0000  0.5000  0.5000  1
  Te  Te4  4  0.0006  0.0000  0.7365  1
  Te  Te5  4  0.1630  0.5000  0.5881  1
  Te  Te6  4  0.1724  0.5000  0.0767  1
]