data_[Ba6Ac4Y2Te12]
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
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2403]
_cell_length_b [14.2526]
_cell_length_c [8.4013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Ac2YTe6]
_chemical_formula_sum '[Ba6 Ac4 Y2 Te12]'
_cell_volume [932.2083]
_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  4  0.0000  0.1718  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.5000  1
  Ac  Ac2  4  0.0000  0.3344  0.0000  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2345  0.1592  0.2274  1
  Te  Te5  4  0.2400  0.0000  0.7679  1
]