data_[Ba4Ac2U2Se12]
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
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6178]
_cell_length_b [8.1160]
_cell_length_c [13.3759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2AcUSe6]
_chemical_formula_sum '[Ba4 Ac2 U2 Se12]'
_cell_volume [684.3565]
_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  0.2233  0.5772  0.7496  1
  Ac  Ac1  2  0.5000  0.0000  0.0000  1
  U  U2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.1175  0.7113  0.4398  1
  Se  Se4  4  0.2372  0.1845  0.4447  1
  Se  Se5  4  0.3446  0.5337  0.2350  1
]