data_[Sc10Cd4Cu2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.9866]
_cell_length_b [10.9866]
_cell_length_c [3.4258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc5Cd2CuIr2]
_chemical_formula_sum '[Sc10 Cd4 Cu2 Ir4]'
_cell_volume [413.5199]
_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  8  0.0752  0.8035  0.5000  1
  Sc  Sc1  2  0.0000  0.5000  0.5000  1
  Cd  Cd2  4  0.1713  0.3287  0.0000  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
  Ir  Ir4  4  0.1326  0.6326  0.0000  1
]