data_[Ba6Sr4Ac2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Ac  1.1000  1.9500  1.2600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9132]
_cell_length_b [13.7079]
_cell_length_c [7.9785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Sr2AcSe6]
_chemical_formula_sum '[Ba6 Sr4 Ac2 Se12]'
_cell_volume [816.8541]
_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  0.1678  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.5000  1
  Sr  Sr2  4  0.0000  0.3336  0.0000  1
  Ac  Ac3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2432  0.1656  0.2329  1
  Se  Se5  4  0.2470  0.5000  0.2340  1
]