# generated using pymatgen
data_Zr2TiB2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37754841
_cell_length_b   9.37754841
_cell_length_c   3.08039084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TiB2Ru5
_chemical_formula_sum   'Zr4 Ti2 B4 Ru10'
_cell_volume   270.88468574
_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
  Zr  Zr0  1  0.67536849  0.17536849  0.00000000  1.0
  Zr  Zr1  1  0.32463151  0.82463151  0.00000000  1.0
  Zr  Zr2  1  0.17536849  0.32463151  0.00000000  1.0
  Zr  Zr3  1  0.82463151  0.67536849  0.00000000  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti5  1  0.50000000  0.50000000  0.00000000  1.0
  B  B6  1  0.12335963  0.62335963  0.00000000  1.0
  B  B7  1  0.87664037  0.37664037  0.00000000  1.0
  B  B8  1  0.62335963  0.87664037  0.00000000  1.0
  B  B9  1  0.37664037  0.12335963  0.00000000  1.0
  Ru  Ru10  1  0.21580283  0.07094656  0.50000000  1.0
  Ru  Ru11  1  0.78419717  0.92905344  0.50000000  1.0
  Ru  Ru12  1  0.07094656  0.78419717  0.50000000  1.0
  Ru  Ru13  1  0.71580283  0.42905344  0.50000000  1.0
  Ru  Ru14  1  0.92905344  0.21580283  0.50000000  1.0
  Ru  Ru15  1  0.28419717  0.57094656  0.50000000  1.0
  Ru  Ru16  1  0.57094656  0.71580283  0.50000000  1.0
  Ru  Ru17  1  0.42905344  0.28419717  0.50000000  1.0
  Ru  Ru18  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0