data_[Ac4Pr12Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4292]
_cell_length_b [8.7892]
_cell_length_c [6.4660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcPr3Ru]
_chemical_formula_sum '[Ac4 Pr12 Ru4]'
_cell_volume [692.1082]
_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  0.0923  0.0000  0.7920  1
  Pr  Pr1  8  0.1311  0.2921  0.2990  1
  Pr  Pr2  4  0.1433  0.5000  0.8073  1
  Ru  Ru3  4  0.1967  0.0000  0.4257  1
]