data_[Sr4Ac2U2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [7.3637]
_cell_length_b [7.9962]
_cell_length_c [13.0063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2AcUSe6]
_chemical_formula_sum '[Sr4 Ac2 U2 Se12]'
_cell_volume [640.9801]
_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
[
  Sr  Sr0  4  0.2128  0.5897  0.7468  1
  Ac  Ac1  2  0.5000  0.0000  0.0000  1
  U  U2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.0933  0.7038  0.4262  1
  Se  Se4  4  0.2307  0.1786  0.4296  1
  Se  Se5  4  0.3683  0.5489  0.2330  1
]