data_[Na2In8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.0553]
_cell_length_b [4.0987]
_cell_length_c [7.6845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NaIn4Ir]
_chemical_formula_sum '[Na2 In8 Ir2]'
_cell_volume [285.2125]
_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
[
  Na  Na0  2  0.2500  0.0000  0.4095  1.0
  In  In1  4  0.0688  0.5000  0.6786  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  In  In3  2  0.2500  0.5000  0.0787  1.0
  Ir  Ir4  2  0.2500  0.0000  0.8141  1.0
]