data_[Ac12In2Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.6358]
_cell_length_b [4.3328]
_cell_length_c [12.9215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6InRu3]
_chemical_formula_sum '[Ac12 In2 Ru6]'
_cell_volume [670.8226]
_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  0.0747  0.7500  0.9172  1
  Ac  Ac1  2  0.1490  0.2500  0.4705  1
  Ac  Ac2  2  0.2158  0.7500  0.2388  1
  Ac  Ac3  2  0.2985  0.7500  0.7449  1
  Ac  Ac4  2  0.3868  0.2500  0.0508  1
  Ac  Ac5  2  0.4719  0.2500  0.6116  1
  In  In6  2  0.0549  0.2500  0.6995  1
  Ru  Ru7  2  0.1629  0.2500  0.0867  1
  Ru  Ru8  2  0.3150  0.7500  0.4958  1
  Ru  Ru9  2  0.4576  0.2500  0.8324  1
]