# generated using pymatgen
data_Ca2B8Ru7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40396089
_cell_length_b   6.40396089
_cell_length_c   10.04751175
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2B8Ru7
_chemical_formula_sum   'Ca4 B16 Ru14'
_cell_volume   412.05564183
_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  0.73328436  0.88727806  0.00000000  1.0
  Ca  Ca1  1  0.11272194  0.73328436  0.50000000  1.0
  Ca  Ca2  1  0.88727806  0.26671564  0.50000000  1.0
  Ca  Ca3  1  0.26671564  0.11272194  0.00000000  1.0
  B  B4  1  0.50000000  0.00000000  0.58823712  1.0
  B  B5  1  0.50000000  0.00000000  0.41176288  1.0
  B  B6  1  0.89798950  0.27275020  0.16727834  1.0
  B  B7  1  0.10201050  0.72724980  0.83272166  1.0
  B  B8  1  0.50000000  0.50000000  0.34094298  1.0
  B  B9  1  0.50000000  0.50000000  0.84094298  1.0
  B  B10  1  0.27275020  0.10201050  0.66727834  1.0
  B  B11  1  0.10201050  0.72724980  0.16727834  1.0
  B  B12  1  0.27275020  0.10201050  0.33272166  1.0
  B  B13  1  0.89798950  0.27275020  0.83272166  1.0
  B  B14  1  0.50000000  0.50000000  0.65905702  1.0
  B  B15  1  0.50000000  0.50000000  0.15905702  1.0
  B  B16  1  0.00000000  0.50000000  0.91176288  1.0
  B  B17  1  0.72724980  0.89798950  0.66727834  1.0
  B  B18  1  0.72724980  0.89798950  0.33272166  1.0
  B  B19  1  0.00000000  0.50000000  0.08823712  1.0
  Ru  Ru20  1  0.20459785  0.39349801  0.75591881  1.0
  Ru  Ru21  1  0.40557642  0.28839187  0.50000000  1.0
  Ru  Ru22  1  0.39349801  0.79540215  0.25591881  1.0
  Ru  Ru23  1  0.20459785  0.39349801  0.24408119  1.0
  Ru  Ru24  1  0.59442358  0.71160813  0.50000000  1.0
  Ru  Ru25  1  0.60650199  0.20459785  0.74408119  1.0
  Ru  Ru26  1  0.28839187  0.59442358  0.00000000  1.0
  Ru  Ru27  1  0.71160813  0.40557642  0.00000000  1.0
  Ru  Ru28  1  0.79540215  0.60650199  0.24408119  1.0
  Ru  Ru29  1  0.79540215  0.60650199  0.75591881  1.0
  Ru  Ru30  1  0.39349801  0.79540215  0.74408119  1.0
  Ru  Ru31  1  0.00000000  0.00000000  0.25000000  1.0
  Ru  Ru32  1  0.60650199  0.20459785  0.25591881  1.0
  Ru  Ru33  1  0.00000000  0.00000000  0.75000000  1.0