data_[Ni16Mo4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.3856]
_cell_length_b [8.7138]
_cell_length_c [4.5606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ni4MoRh2]
_chemical_formula_sum '[Ni16 Mo4 Rh8]'
_cell_volume [355.2506]
_cell_formula_units_Z [4]
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  0.0159  0.3066  0.2660  1
  Ni  Ni1  4  0.2293  0.1940  0.5874  1
  Ni  Ni2  4  0.3707  0.0007  0.4274  1
  Ni  Ni3  4  0.3817  0.4393  0.6809  1
  Mo  Mo4  4  0.1230  0.0940  0.0150  1
  Rh  Rh5  4  0.1314  0.4150  0.8542  1
  Rh  Rh6  4  0.3791  0.2695  0.1686  1
]