# generated using pymatgen
data_Ca3Ac(B8Ru7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42771082
_cell_length_b   6.43572957
_cell_length_c   10.08234024
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95181206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ac(B8Ru7)2
_chemical_formula_sum   'Ca3 Ac1 B16 Ru14'
_cell_volume   417.07610734
_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
  Ca  Ca0  1  0.11507701  0.72988453  0.50000000  1.0
  Ca  Ca1  1  0.88548568  0.26661537  0.50000000  1.0
  Ca  Ca2  1  0.25515652  0.12444726  0.00000000  1.0
  Ac  Ac3  1  0.72565988  0.89020250  0.00000000  1.0
  B  B4  1  0.50090455  0.00051502  0.58802653  1.0
  B  B5  1  0.50090455  0.00051502  0.41197347  1.0
  B  B6  1  0.89887267  0.27430951  0.17108125  1.0
  B  B7  1  0.10362656  0.72440672  0.82895058  1.0
  B  B8  1  0.49927358  0.50050075  0.34212964  1.0
  B  B9  1  0.49969069  0.49968167  0.84047015  1.0
  B  B10  1  0.27539678  0.10317179  0.66731007  1.0
  B  B11  1  0.10362656  0.72440672  0.17104942  1.0
  B  B12  1  0.27539678  0.10317179  0.33268993  1.0
  B  B13  1  0.89887267  0.27430951  0.82891875  1.0
  B  B14  1  0.49927358  0.50050075  0.65787036  1.0
  B  B15  1  0.49969069  0.49968167  0.15952985  1.0
  B  B16  1  0.00026057  0.49849680  0.91052575  1.0
  B  B17  1  0.72784770  0.89711589  0.66660658  1.0
  B  B18  1  0.72784770  0.89711589  0.33339342  1.0
  B  B19  1  0.00026057  0.49849680  0.08947425  1.0
  Ru  Ru20  1  0.20587248  0.39486204  0.75508708  1.0
  Ru  Ru21  1  0.40515172  0.28792933  0.50000000  1.0
  Ru  Ru22  1  0.39448084  0.79502866  0.25670191  1.0
  Ru  Ru23  1  0.20587248  0.39486204  0.24491292  1.0
  Ru  Ru24  1  0.59451518  0.71344209  0.50000000  1.0
  Ru  Ru25  1  0.60588310  0.20558032  0.74293765  1.0
  Ru  Ru26  1  0.28568322  0.59519829  0.00000000  1.0
  Ru  Ru27  1  0.71323411  0.40156041  0.00000000  1.0
  Ru  Ru28  1  0.79564091  0.60213467  0.24725114  1.0
  Ru  Ru29  1  0.79564091  0.60213467  0.75274886  1.0
  Ru  Ru30  1  0.39448084  0.79502866  0.74329809  1.0
  Ru  Ru31  1  0.00226792  0.99955776  0.25254973  1.0
  Ru  Ru32  1  0.60588310  0.20558032  0.25706235  1.0
  Ru  Ru33  1  0.00226792  0.99955776  0.74745027  1.0