data_[Ni10Ir2]
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 [Cm]
_cell_length_a [9.3448]
_cell_length_b [2.5842]
_cell_length_c [6.0023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ni5Ir]
_chemical_formula_sum '[Ni10 Ir2]'
_cell_volume [139.6664]
_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  0.0544  0.0000  0.6053  1.0
  Ni  Ni1  2  0.1692  0.5000  0.3406  1.0
  Ni  Ni2  2  0.2214  0.5000  0.9396  1.0
  Ni  Ni3  2  0.3331  0.0000  0.6632  1.0
  Ni  Ni4  2  0.3871  0.0000  0.2812  1.0
  Ir  Ir5  2  0.0014  0.0000  0.0034  1.0
]