data_[Ac4U4Ru12]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7812]
_cell_length_b [4.3047]
_cell_length_c [6.3992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcURu3]
_chemical_formula_sum '[Ac4 U4 Ru12]'
_cell_volume [439.9116]
_cell_formula_units_Z [4]
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  4  0.0744  0.5000  0.3239  1
  U  U1  4  0.2131  0.0000  0.1588  1
  Ru  Ru2  4  0.0737  0.0000  0.9385  1
  Ru  Ru3  4  0.1423  0.5000  0.8193  1
  Ru  Ru4  4  0.2120  0.0000  0.6039  1
]