# generated using pymatgen
data_CaBRu2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66048649
_cell_length_b   5.84819728
_cell_length_c   5.48854513
_cell_angle_alpha   71.88193658
_cell_angle_beta   56.56467965
_cell_angle_gamma   51.55338591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBRu2C
_chemical_formula_sum   'Ca2 B2 Ru4 C2'
_cell_volume   139.56381607
_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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.25000000  0.25000000  0.25000000  1.0
  B  B2  1  0.93326694  0.56673306  0.93326694  1.0
  B  B3  1  0.56673306  0.93326694  0.56673306  1.0
  Ru  Ru4  1  0.60929091  0.60929091  0.89070909  1.0
  Ru  Ru5  1  0.63104780  0.63104780  0.36895120  1.0
  Ru  Ru6  1  0.36895120  0.36895220  0.63104780  1.0
  Ru  Ru7  1  0.89071009  0.89070909  0.60928991  1.0
  C  C8  1  0.68264692  0.31735308  0.68264692  1.0
  C  C9  1  0.31735308  0.68264692  0.31735308  1.0