# generated using pymatgen
data_Ca2B8OsRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41025995
_cell_length_b   6.41025995
_cell_length_c   10.06751357
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2B8OsRu6
_chemical_formula_sum   'Ca4 B16 Os2 Ru12'
_cell_volume   413.68855512
_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  0.73213511  0.88672927  0.00000000  1.0
  Ca  Ca1  1  0.11327073  0.73213511  0.50000000  1.0
  Ca  Ca2  1  0.88672927  0.26786489  0.50000000  1.0
  Ca  Ca3  1  0.26786489  0.11327073  0.00000000  1.0
  B  B4  1  0.50000000  0.00000000  0.58827254  1.0
  B  B5  1  0.50000000  0.00000000  0.41172746  1.0
  B  B6  1  0.89786216  0.27161484  0.16537048  1.0
  B  B7  1  0.10213784  0.72838516  0.83462952  1.0
  B  B8  1  0.50000000  0.50000000  0.34060494  1.0
  B  B9  1  0.50000000  0.50000000  0.84060494  1.0
  B  B10  1  0.27161484  0.10213784  0.66537048  1.0
  B  B11  1  0.10213784  0.72838516  0.16537048  1.0
  B  B12  1  0.27161484  0.10213784  0.33462952  1.0
  B  B13  1  0.89786216  0.27161484  0.83462952  1.0
  B  B14  1  0.50000000  0.50000000  0.65939506  1.0
  B  B15  1  0.50000000  0.50000000  0.15939506  1.0
  B  B16  1  0.00000000  0.50000000  0.91172746  1.0
  B  B17  1  0.72838516  0.89786216  0.66537048  1.0
  B  B18  1  0.72838516  0.89786216  0.33462952  1.0
  B  B19  1  0.00000000  0.50000000  0.08827254  1.0
  Os  Os20  1  0.00000000  0.00000000  0.25000000  1.0
  Os  Os21  1  0.00000000  0.00000000  0.75000000  1.0
  Ru  Ru22  1  0.20490160  0.39384048  0.75631568  1.0
  Ru  Ru23  1  0.40652203  0.28853716  0.50000000  1.0
  Ru  Ru24  1  0.39384048  0.79509840  0.25631568  1.0
  Ru  Ru25  1  0.20490160  0.39384048  0.24368432  1.0
  Ru  Ru26  1  0.59347797  0.71146284  0.50000000  1.0
  Ru  Ru27  1  0.60615952  0.20490160  0.74368432  1.0
  Ru  Ru28  1  0.28853716  0.59347797  0.00000000  1.0
  Ru  Ru29  1  0.71146284  0.40652203  0.00000000  1.0
  Ru  Ru30  1  0.79509840  0.60615952  0.24368432  1.0
  Ru  Ru31  1  0.79509840  0.60615952  0.75631568  1.0
  Ru  Ru32  1  0.39384048  0.79509840  0.74368432  1.0
  Ru  Ru33  1  0.60615952  0.20490160  0.25631568  1.0