data_[Ba10Na4Sr2Ir2]
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 [I4mm]
_cell_length_a [8.8247]
_cell_length_b [8.8247]
_cell_length_c [12.3346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ba5Na2SrIr]
_chemical_formula_sum '[Ba10 Na4 Sr2 Ir2]'
_cell_volume [960.5558]
_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  8  0.2424  0.2424  0.9989  1.0
  Ba  Ba1  2  0.0000  0.0000  0.2445  1.0
  Na  Na2  4  0.0000  0.5000  0.2497  1.0
  Sr  Sr3  2  0.0000  0.0000  0.7594  1.0
  Ir  Ir4  2  0.0000  0.0000  0.0011  1.0
]