data_[Ni2Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3898]
_cell_length_b [2.7415]
_cell_length_c [14.0531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NiIr5]
_chemical_formula_sum '[Ni2 Ir10]'
_cell_volume [169.1223]
_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  2  0.5000  0.0000  0.8905  1.0
  Ir  Ir1  2  0.0000  0.0000  0.3350  1.0
  Ir  Ir2  2  0.0000  0.0000  0.6687  1.0
  Ir  Ir3  2  0.0000  0.0000  0.9958  1.0
  Ir  Ir4  2  0.5000  0.0000  0.2244  1.0
  Ir  Ir5  2  0.5000  0.0000  0.5523  1.0
]