# generated using pymatgen
data_Zr3Ta3(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43698225
_cell_length_b   9.43698225
_cell_length_c   3.07676995
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.08437300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ta3(B2Ru5)2
_chemical_formula_sum   'Zr3 Ta3 B4 Ru10'
_cell_volume   274.00647810
_cell_formula_units_Z   1
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  0.82482573  0.67587334  0.00000000  1.0
  Zr  Zr1  1  0.17587334  0.32482573  0.00000000  1.0
  Zr  Zr2  1  0.32487628  0.82487628  0.00000000  1.0
  Ta  Ta3  1  0.67621413  0.17621413  0.00000000  1.0
  Ta  Ta4  1  0.49973561  0.50025587  0.00000000  1.0
  Ta  Ta5  1  0.00025587  0.99973561  0.00000000  1.0
  B  B6  1  0.62152791  0.87926567  0.00000000  1.0
  B  B7  1  0.37926567  0.12152791  0.00000000  1.0
  B  B8  1  0.12064881  0.62064881  0.00000000  1.0
  B  B9  1  0.87791843  0.37791843  0.00000000  1.0
  Ru  Ru10  1  0.57122704  0.71947492  0.50000000  1.0
  Ru  Ru11  1  0.43425287  0.28091624  0.50000000  1.0
  Ru  Ru12  1  0.06941668  0.78113069  0.50000000  1.0
  Ru  Ru13  1  0.92347343  0.21595116  0.50000000  1.0
  Ru  Ru14  1  0.28113069  0.56941668  0.50000000  1.0
  Ru  Ru15  1  0.71595116  0.42347343  0.50000000  1.0
  Ru  Ru16  1  0.21947492  0.07122704  0.50000000  1.0
  Ru  Ru17  1  0.78091624  0.93425287  0.50000000  1.0
  Ru  Ru18  1  0.50480734  0.00480734  0.50000000  1.0
  Ru  Ru19  1  0.99821086  0.49821086  0.50000000  1.0