# generated using pymatgen
data_Zr2Ni4BRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60346846
_cell_length_b   5.44402811
_cell_length_c   5.44402747
_cell_angle_alpha   60.09303293
_cell_angle_beta   59.02635949
_cell_angle_gamma   59.02635685
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni4BRu2
_chemical_formula_sum   'Zr2 Ni4 B1 Ru2'
_cell_volume   115.75160688
_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  0.75444068  0.74198716  0.74913148  1.0
  Zr  Zr1  1  0.24555932  0.25086852  0.25801284  1.0
  Ni  Ni2  1  0.73999619  0.25290878  0.26709884  1.0
  Ni  Ni3  1  0.27014665  0.25537567  0.74462433  1.0
  Ni  Ni4  1  0.72985335  0.25537567  0.74462433  1.0
  Ni  Ni5  1  0.26000381  0.73290116  0.74709122  1.0
  B  B6  1  1.00000000  0.02249546  0.97750454  1.0
  Ru  Ru7  1  0.74278159  0.74404229  0.25595771  1.0
  Ru  Ru8  1  0.25721841  0.74404229  0.25595771  1.0