data_[Na2Ni2As4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9564]
_cell_length_b [3.9564]
_cell_length_c [11.9258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [NaNiAs2Ir]
_chemical_formula_sum '[Na2 Ni2 As4 Ir2]'
_cell_volume [186.6782]
_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  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  2  0.0000  0.5000  0.2500  1.0
  As  As2  4  0.0000  0.0000  0.3673  1.0
  Ir  Ir3  2  0.0000  0.5000  0.7500  1.0
]