data_[Ac2Pu10Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2951]
_cell_length_b [12.6270]
_cell_length_c [7.2957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcPu5Se6]
_chemical_formula_sum '[Ac2 Pu10 Se12]'
_cell_volume [633.4187]
_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  0.0000  0.0000  0.0000  1
  Pu  Pu1  4  0.0000  0.1625  0.5000  1
  Pu  Pu2  4  0.0000  0.3325  0.0000  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2415  0.3264  0.7418  1
  Se  Se5  4  0.2394  0.5000  0.2539  1
]