data_[Sr4Cd4Ir4]
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 [C2/m]
_cell_length_a [12.8319]
_cell_length_b [4.5084]
_cell_length_c [5.8161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCdIr]
_chemical_formula_sum '[Sr4 Cd4 Ir4]'
_cell_volume [325.1159]
_cell_formula_units_Z [4]
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  0.1233  0.0000  0.3163  1.0
  Cd  Cd1  4  0.0890  0.5000  0.7288  1.0
  Ir  Ir2  4  0.2211  0.0000  0.9125  1.0
]