data_[Na4Ga2Ag1Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7420]
_cell_length_b [4.7420]
_cell_length_c [6.8032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Na4Ga2AgIr]
_chemical_formula_sum '[Na4 Ga2 Ag1 Ir1]'
_cell_volume [152.9797]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.2469  1
  Na  Na1  1  0.0000  0.0000  0.5000  1
  Na  Na2  1  0.5000  0.5000  0.0000  1
  Ga  Ga3  2  0.0000  0.5000  0.7026  1
  Ag  Ag4  1  0.0000  0.0000  0.0000  1
  Ir  Ir5  1  0.5000  0.5000  0.5000  1
]