data_[Ni8Ir8Rh6]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7096]
_cell_length_b [3.6956]
_cell_length_c [29.0595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ni4Ir4Rh3]
_chemical_formula_sum '[Ni8 Ir8 Rh6]'
_cell_volume [290.9837]
_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  4  0.0000  0.5000  0.1823  1
  Ni  Ni1  4  0.0000  0.5000  0.4542  1
  Ir  Ir2  4  0.0000  0.5000  0.0895  1
  Ir  Ir3  4  0.0000  0.5000  0.2732  1
  Rh  Rh4  4  0.0000  0.5000  0.3637  1
  Rh  Rh5  2  0.0000  0.5000  0.0000  1
]