# generated using pymatgen
data_Zr6B4Ir3Ru7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56676512
_cell_length_b   9.56737058
_cell_length_c   3.12050665
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99414502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6B4Ir3Ru7
_chemical_formula_sum   'Zr6 B4 Ir3 Ru7'
_cell_volume   285.61618755
_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  0.67447456  0.17947829  0.00000000  1.0
  Zr  Zr1  1  0.32957007  0.82198539  0.00000000  1.0
  Zr  Zr2  1  0.17498719  0.32833328  0.00000000  1.0
  Zr  Zr3  1  0.82154887  0.66912294  0.00000000  1.0
  Zr  Zr4  1  0.99868854  0.00459033  0.00000000  1.0
  Zr  Zr5  1  0.49954781  0.49901666  0.00000000  1.0
  B  B6  1  0.12332180  0.61610962  0.00000000  1.0
  B  B7  1  0.87699939  0.37931021  0.00000000  1.0
  B  B8  1  0.61591682  0.87456801  0.00000000  1.0
  B  B9  1  0.38528999  0.12453198  0.00000000  1.0
  Ir  Ir10  1  0.22374497  0.06999796  0.50000000  1.0
  Ir  Ir11  1  0.77718909  0.92786467  0.50000000  1.0
  Ir  Ir12  1  0.07057531  0.77909238  0.50000000  1.0
  Ru  Ru13  1  0.72172591  0.42776564  0.50000000  1.0
  Ru  Ru14  1  0.92969063  0.22354506  0.50000000  1.0
  Ru  Ru15  1  0.27740741  0.57391598  0.50000000  1.0
  Ru  Ru16  1  0.57207285  0.72159445  0.50000000  1.0
  Ru  Ru17  1  0.42658385  0.27764934  0.50000000  1.0
  Ru  Ru18  1  0.50107716  0.00000145  0.50000000  1.0
  Ru  Ru19  1  0.99958878  0.50152334  0.50000000  1.0