# generated using pymatgen
data_Zr3B2Ir2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54347680
_cell_length_b   9.55426584
_cell_length_c   3.14243826
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99363272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3B2Ir2Ru3
_chemical_formula_sum   'Zr6 B4 Ir4 Ru6'
_cell_volume   286.53039255
_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  0.67304491  0.17453980  0.00000000  1.0
  Zr  Zr1  1  0.32912502  0.82258614  0.00000000  1.0
  Zr  Zr2  1  0.17561689  0.32838338  0.00000000  1.0
  Zr  Zr3  1  0.82360077  0.67256491  0.00000000  1.0
  Zr  Zr4  1  0.99967466  0.00432096  0.00000000  1.0
  Zr  Zr5  1  0.49588047  0.50039169  0.00000000  1.0
  B  B6  1  0.12196349  0.61934085  0.00000000  1.0
  B  B7  1  0.88049492  0.37797407  0.00000000  1.0
  B  B8  1  0.61800968  0.87475592  0.00000000  1.0
  B  B9  1  0.38349276  0.12329118  0.00000000  1.0
  Ir  Ir10  1  0.22434594  0.07121379  0.50000000  1.0
  Ir  Ir11  1  0.77763584  0.92794002  0.50000000  1.0
  Ir  Ir12  1  0.07034040  0.77936510  0.50000000  1.0
  Ir  Ir13  1  0.72127185  0.42726858  0.50000000  1.0
  Ru  Ru14  1  0.92898143  0.22381903  0.50000000  1.0
  Ru  Ru15  1  0.27553685  0.57351142  0.50000000  1.0
  Ru  Ru16  1  0.57329857  0.72078670  0.50000000  1.0
  Ru  Ru17  1  0.42889277  0.27709154  0.50000000  1.0
  Ru  Ru18  1  0.50096898  0.99876591  0.50000000  1.0
  Ru  Ru19  1  0.99782580  0.50208900  0.50000000  1.0