# generated using pymatgen
data_YPuBIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82651118
_cell_length_b   5.82651071
_cell_length_c   5.82651091
_cell_angle_alpha   60.00000441
_cell_angle_beta   60.00000707
_cell_angle_gamma   60.00000206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPuBIr6
_chemical_formula_sum   'Y1 Pu1 B1 Ir6'
_cell_volume   139.86554554
_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
  Y  Y0  1  0.75000000  0.75000000  0.75000000  1.0
  Pu  Pu1  1  0.25000000  0.25000000  0.25000000  1.0
  B  B2  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir3  1  0.74173871  0.25826229  0.25826229  1.0
  Ir  Ir4  1  0.25826229  0.74173871  0.25826229  1.0
  Ir  Ir5  1  0.74173671  0.74173671  0.25826429  1.0
  Ir  Ir6  1  0.25826229  0.25826229  0.74173871  1.0
  Ir  Ir7  1  0.74173671  0.25826429  0.74173671  1.0
  Ir  Ir8  1  0.25826429  0.74173671  0.74173671  1.0