data_[Ba24Sr4Ir4]
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 [C2/c]
_cell_length_a [15.5044]
_cell_length_b [7.8306]
_cell_length_c [15.3421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba6SrIr]
_chemical_formula_sum '[Ba24 Sr4 Ir4]'
_cell_volume [1822.0682]
_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  0.0787  0.0942  0.3944  1
  Ba  Ba1  8  0.1470  0.4315  0.0346  1
  Ba  Ba2  8  0.2162  0.0865  0.6711  1
  Sr  Sr3  4  0.0000  0.4081  0.7500  1
  Ir  Ir4  4  0.2500  0.2500  0.5000  1
]