[CIF]
data_Sc2BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89940687
_cell_length_b   2.89940687
_cell_length_c   7.56823558
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BIr
_chemical_formula_sum   'Sc2 B1 Ir1'
_cell_volume   63.62282788
_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
  B  B0  1  0.00000000  0.00000000  4.15001670  1
  Ir  Ir1  1  1.44970343  1.44970343  5.15890292  1
  Sc  Sc2  1  0.00000000  0.00000000  7.19225411  1
  Sc  Sc3  1  1.44970343  1.44970343  2.41941529  1
[/CIF]
