data_[Ba4Na4Sr8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9905]
_cell_length_b [8.4564]
_cell_length_c [7.0216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Na2Sr4Ir]
_chemical_formula_sum '[Ba4 Na4 Sr8 Ir2]'
_cell_volume [890.0605]
_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
[
  Ba  Ba0  4  0.1674  0.0000  0.7414  1.0
  Na  Na1  4  0.1668  0.5000  0.7523  1.0
  Sr  Sr2  8  0.0776  0.2465  0.2607  1.0
  Ir  Ir3  2  0.0000  0.0000  0.5000  1.0
]