data_[Ac6U2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/m]
_cell_length_a [12.1924]
_cell_length_b [4.4017]
_cell_length_c [12.6172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac3USe6]
_chemical_formula_sum '[Ac6 U2 Se12]'
_cell_volume [646.9491]
_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
[
  Ac  Ac0  2  0.1612  0.2500  0.0787  1
  Ac  Ac1  2  0.3151  0.7500  0.4910  1
  Ac  Ac2  2  0.4135  0.2500  0.8297  1
  U  U3  2  0.0428  0.2500  0.6818  1
  Se  Se4  2  0.0852  0.7500  0.8928  1
  Se  Se5  2  0.1007  0.2500  0.4578  1
  Se  Se6  2  0.1741  0.7500  0.2481  1
  Se  Se7  2  0.2350  0.7500  0.7098  1
  Se  Se8  2  0.4095  0.2500  0.0748  1
  Se  Se9  2  0.4773  0.2500  0.6147  1
]