# generated using pymatgen
data_Ac6YbRuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48548669
_cell_length_b   10.48548678
_cell_length_c   10.48548576
_cell_angle_alpha   107.21525026
_cell_angle_beta   107.21524764
_cell_angle_gamma   107.21523926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac6YbRuI12
_chemical_formula_sum   'Ac6 Yb1 Ru1 I12'
_cell_volume   954.39547937
_cell_formula_units_Z   1
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  1  0.89509795  0.69280255  0.97229015  1.0
  Ac  Ac1  1  0.97229015  0.89509795  0.69280255  1.0
  Ac  Ac2  1  0.69280255  0.97229015  0.89509795  1.0
  Ac  Ac3  1  0.10490205  0.30719745  0.02770985  1.0
  Ac  Ac4  1  0.02770985  0.10490205  0.30719745  1.0
  Ac  Ac5  1  0.30719745  0.02770985  0.10490205  1.0
  Yb  Yb6  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.60864923  0.82258804  0.52898877  1.0
  I  I9  1  0.52898877  0.60864923  0.82258804  1.0
  I  I10  1  0.82258804  0.52898877  0.60864923  1.0
  I  I11  1  0.39135077  0.17741196  0.47101123  1.0
  I  I12  1  0.47101123  0.39135077  0.17741196  1.0
  I  I13  1  0.17741196  0.47101123  0.39135077  1.0
  I  I14  1  0.67799715  0.06978076  0.22513756  1.0
  I  I15  1  0.22513756  0.67799715  0.06978076  1.0
  I  I16  1  0.06978076  0.22513756  0.67799715  1.0
  I  I17  1  0.32200285  0.93021924  0.77486244  1.0
  I  I18  1  0.77486244  0.32200285  0.93021924  1.0
  I  I19  1  0.93021924  0.77486244  0.32200285  1.0