data_[Sr12Cd4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4645]
_cell_length_b [8.8355]
_cell_length_c [13.4466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Cd2Ir]
_chemical_formula_sum '[Sr12 Cd4 Ir2]'
_cell_volume [737.5767]
_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
[
  Sr  Sr0  4  0.1341  0.0273  0.2525  1
  Sr  Sr1  4  0.2252  0.6651  0.0548  1
  Sr  Sr2  4  0.4043  0.1989  0.0554  1
  Cd  Cd3  4  0.3178  0.1118  0.7582  1
  Ir  Ir4  2  0.5000  0.0000  0.5000  1
]