# generated using pymatgen
data_ScTiBIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63292359
_cell_length_b   5.63292424
_cell_length_c   5.63292415
_cell_angle_alpha   60.00000632
_cell_angle_beta   60.00000252
_cell_angle_gamma   60.00000214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiBIr6
_chemical_formula_sum   'Sc1 Ti1 B1 Ir6'
_cell_volume   126.38243295
_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
  Ti  Ti1  1  0.25000000  0.25000000  0.25000000  1.0
  B  B2  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir3  1  0.75890067  0.75890067  0.24109933  1.0
  Ir  Ir4  1  0.75890067  0.24109933  0.24109933  1.0
  Ir  Ir5  1  0.24109933  0.75890067  0.24109933  1.0
  Ir  Ir6  1  0.24109933  0.24109933  0.75890067  1.0
  Ir  Ir7  1  0.75890067  0.24109933  0.75890067  1.0
  Ir  Ir8  1  0.24109933  0.75890067  0.75890067  1.0