data_[Sc4B4Ir10Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.4456]
_cell_length_b [9.4456]
_cell_length_c [3.1288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc2B2Ir5Pd]
_chemical_formula_sum '[Sc4 B4 Ir10 Pd2]'
_cell_volume [279.1463]
_cell_formula_units_Z [2]
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  4  0.1771  0.6771  0.0000  1.0
  B  B1  4  0.1238  0.3762  0.0000  1.0
  Ir  Ir2  8  0.0716  0.2219  0.5000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.5000  1.0
]