data_[Ba12Sr24Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [18.4138]
_cell_length_b [18.6460]
_cell_length_c [6.0744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3Sr6Ir]
_chemical_formula_sum '[Ba12 Sr24 Ir4]'
_cell_volume [2085.6133]
_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
[
  Ba  Ba0  8  0.1680  0.0843  0.2500  1
  Ba  Ba1  4  0.0000  0.4092  0.7500  1
  Sr  Sr2  8  0.1597  0.2489  0.7500  1
  Sr  Sr3  8  0.1672  0.4151  0.2500  1
  Sr  Sr4  4  0.0000  0.0914  0.7500  1
  Sr  Sr5  4  0.0000  0.2498  0.2500  1
  Ir  Ir6  4  0.0000  0.2494  0.7500  1
]