data_[Ni14Sn4As4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6008]
_cell_length_b [3.6008]
_cell_length_c [29.2644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ni7Sn2As2Ir]
_chemical_formula_sum '[Ni14 Sn4 As4 Ir2]'
_cell_volume [379.4364]
_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
[
  Ni  Ni0  8  0.0000  0.5000  0.0630  1
  Ni  Ni1  4  0.0000  0.0000  0.3072  1
  Ni  Ni2  2  0.0000  0.0000  0.5000  1
  Sn  Sn3  4  0.0000  0.0000  0.2130  1
  As  As4  4  0.0000  0.0000  0.3854  1
  Ir  Ir5  2  0.0000  0.0000  0.0000  1
]