# generated using pymatgen
data_Ca2B8IrRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40819465
_cell_length_b   6.40819465
_cell_length_c   10.07556639
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2B8IrRu6
_chemical_formula_sum   'Ca4 B16 Ir2 Ru12'
_cell_volume   413.75271812
_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
  Ca  Ca0  1  0.72926262  0.88292072  0.00000000  1.0
  Ca  Ca1  1  0.11707928  0.72926262  0.50000000  1.0
  Ca  Ca2  1  0.88292072  0.27073738  0.50000000  1.0
  Ca  Ca3  1  0.27073738  0.11707928  0.00000000  1.0
  B  B4  1  0.50000000  0.00000000  0.58820532  1.0
  B  B5  1  0.50000000  0.00000000  0.41179468  1.0
  B  B6  1  0.89567623  0.27675361  0.16787233  1.0
  B  B7  1  0.10432377  0.72324639  0.83212767  1.0
  B  B8  1  0.50000000  0.50000000  0.34133733  1.0
  B  B9  1  0.50000000  0.50000000  0.84133733  1.0
  B  B10  1  0.27675361  0.10432377  0.66787233  1.0
  B  B11  1  0.10432377  0.72324639  0.16787233  1.0
  B  B12  1  0.27675361  0.10432377  0.33212767  1.0
  B  B13  1  0.89567623  0.27675361  0.83212767  1.0
  B  B14  1  0.50000000  0.50000000  0.65866267  1.0
  B  B15  1  0.50000000  0.50000000  0.15866267  1.0
  B  B16  1  0.00000000  0.50000000  0.91179468  1.0
  B  B17  1  0.72324639  0.89567623  0.66787233  1.0
  B  B18  1  0.72324639  0.89567623  0.33212767  1.0
  B  B19  1  0.00000000  0.50000000  0.08820532  1.0
  Ir  Ir20  1  0.00000000  0.00000000  0.25000000  1.0
  Ir  Ir21  1  0.00000000  0.00000000  0.75000000  1.0
  Ru  Ru22  1  0.20489163  0.39337261  0.75544668  1.0
  Ru  Ru23  1  0.40569091  0.28754401  0.50000000  1.0
  Ru  Ru24  1  0.39337261  0.79510837  0.25544668  1.0
  Ru  Ru25  1  0.20489163  0.39337261  0.24455332  1.0
  Ru  Ru26  1  0.59430909  0.71245599  0.50000000  1.0
  Ru  Ru27  1  0.60662739  0.20489163  0.74455332  1.0
  Ru  Ru28  1  0.28754401  0.59430909  0.00000000  1.0
  Ru  Ru29  1  0.71245599  0.40569091  0.00000000  1.0
  Ru  Ru30  1  0.79510837  0.60662739  0.24455332  1.0
  Ru  Ru31  1  0.79510837  0.60662739  0.75544668  1.0
  Ru  Ru32  1  0.39337261  0.79510837  0.74455332  1.0
  Ru  Ru33  1  0.60662739  0.20489163  0.25544668  1.0