# generated using pymatgen
data_Zr2TaB2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45909495
_cell_length_b   9.45909495
_cell_length_c   3.09310554
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaB2Ru5
_chemical_formula_sum   'Zr4 Ta2 B4 Ru10'
_cell_volume   276.75400111
_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  0.82418096  0.67581904  0.00000000  1.0
  Zr  Zr1  1  0.17581904  0.32418096  0.00000000  1.0
  Zr  Zr2  1  0.32418096  0.82418096  0.00000000  1.0
  Zr  Zr3  1  0.67581904  0.17581904  0.00000000  1.0
  Ta  Ta4  1  0.50000000  0.50000000  0.00000000  1.0
  Ta  Ta5  1  0.00000000  0.00000000  0.00000000  1.0
  B  B6  1  0.62084802  0.87915198  0.00000000  1.0
  B  B7  1  0.37915198  0.12084802  0.00000000  1.0
  B  B8  1  0.12084802  0.62084802  0.00000000  1.0
  B  B9  1  0.87915198  0.37915198  0.00000000  1.0
  Ru  Ru10  1  0.57037876  0.71806042  0.50000000  1.0
  Ru  Ru11  1  0.42962124  0.28193958  0.50000000  1.0
  Ru  Ru12  1  0.07037876  0.78193958  0.50000000  1.0
  Ru  Ru13  1  0.92962124  0.21806042  0.50000000  1.0
  Ru  Ru14  1  0.28193958  0.57037876  0.50000000  1.0
  Ru  Ru15  1  0.71806042  0.42962124  0.50000000  1.0
  Ru  Ru16  1  0.21806042  0.07037876  0.50000000  1.0
  Ru  Ru17  1  0.78193958  0.92962124  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