# generated using pymatgen
data_Ti3Co(BRu2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04972353
_cell_length_b   9.04972353
_cell_length_c   2.98923026
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Co(BRu2)2
_chemical_formula_sum   'Ti6 Co2 B4 Ru8'
_cell_volume   244.81047336
_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
  Ti  Ti0  1  0.82346903  0.67653097  0.00000000  1.0
  Ti  Ti1  1  0.17653097  0.32346903  0.00000000  1.0
  Ti  Ti2  1  0.32346903  0.82346903  0.00000000  1.0
  Ti  Ti3  1  0.67653097  0.17653097  0.00000000  1.0
  Ti  Ti4  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co6  1  0.50000000  0.00000000  0.50000000  1.0
  Co  Co7  1  0.00000000  0.50000000  0.50000000  1.0
  B  B8  1  0.61504012  0.88495988  0.00000000  1.0
  B  B9  1  0.38495988  0.11504012  0.00000000  1.0
  B  B10  1  0.11504012  0.61504012  0.00000000  1.0
  B  B11  1  0.88495988  0.38495988  0.00000000  1.0
  Ru  Ru12  1  0.56315376  0.72207702  0.50000000  1.0
  Ru  Ru13  1  0.43684624  0.27792298  0.50000000  1.0
  Ru  Ru14  1  0.06315376  0.77792298  0.50000000  1.0
  Ru  Ru15  1  0.93684624  0.22207702  0.50000000  1.0
  Ru  Ru16  1  0.27792298  0.56315376  0.50000000  1.0
  Ru  Ru17  1  0.72207702  0.43684624  0.50000000  1.0
  Ru  Ru18  1  0.22207702  0.06315376  0.50000000  1.0
  Ru  Ru19  1  0.77792298  0.93684624  0.50000000  1.0