# generated using pymatgen
data_Zr2B(Ir2Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70200304
_cell_length_b   5.69570734
_cell_length_c   5.69570559
_cell_angle_alpha   60.15792669
_cell_angle_beta   59.96342129
_cell_angle_gamma   59.96341761
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2B(Ir2Ru)2
_chemical_formula_sum   'Zr2 B1 Ir4 Ru2'
_cell_volume   130.88274160
_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  0.75014885  0.75010737  0.74959594  1.0
  Zr  Zr1  1  0.24985115  0.25040406  0.24989263  1.0
  B  B2  1  0.00000000  0.99540487  0.00459513  1.0
  Ir  Ir3  1  0.74147667  0.25915816  0.25788850  1.0
  Ir  Ir4  1  0.25777658  0.25846613  0.74153387  1.0
  Ir  Ir5  1  0.74222342  0.25846613  0.74153387  1.0
  Ir  Ir6  1  0.25852333  0.74211150  0.74084184  1.0
  Ru  Ru7  1  0.74169772  0.74293989  0.25706011  1.0
  Ru  Ru8  1  0.25830228  0.74293989  0.25706011  1.0