data_[Sc12Zn10Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6880]
_cell_length_b [14.0288]
_cell_length_c [6.7144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc6Zn5Ir]
_chemical_formula_sum '[Sc12 Zn10 Ir2]'
_cell_volume [441.5853]
_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  0.0000  0.1622  0.2452  1
  Sc  Sc1  4  0.0000  0.5000  0.2408  1
  Zn  Zn2  4  0.0000  0.3290  0.0000  1
  Zn  Zn3  4  0.0000  0.3322  0.5000  1
  Zn  Zn4  2  0.0000  0.0000  0.5000  1
  Ir  Ir5  2  0.0000  0.0000  0.0000  1
]