# generated using pymatgen
data_ScUBIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75636343
_cell_length_b   5.75636311
_cell_length_c   5.75636289
_cell_angle_alpha   59.99998426
_cell_angle_beta   59.99998609
_cell_angle_gamma   59.99999545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScUBIr6
_chemical_formula_sum   'Sc1 U1 B1 Ir6'
_cell_volume   134.87437393
_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
  Sc  Sc0  1  0.75000000  0.75000000  0.75000000  1.0
  U  U1  1  0.25000000  0.25000000  0.25000000  1.0
  B  B2  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir3  1  0.74185592  0.74185592  0.25814408  1.0
  Ir  Ir4  1  0.25814408  0.74185592  0.25814408  1.0
  Ir  Ir5  1  0.74185592  0.25814408  0.25814408  1.0
  Ir  Ir6  1  0.25814408  0.25814408  0.74185592  1.0
  Ir  Ir7  1  0.74185592  0.25814408  0.74185592  1.0
  Ir  Ir8  1  0.25814408  0.74185592  0.74185592  1.0