data_[Nb8Ni12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7869]
_cell_length_b [3.8432]
_cell_length_c [8.4083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2Ni3Rh]
_chemical_formula_sum '[Nb8 Ni12 Rh4]'
_cell_volume [334.4019]
_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
[
  Nb  Nb0  4  0.0209  0.5000  0.8387  1
  Nb  Nb1  4  0.2093  0.0000  0.8482  1
  Ni  Ni2  4  0.0413  0.0000  0.3863  1
  Ni  Ni3  4  0.1209  0.5000  0.6124  1
  Ni  Ni4  4  0.2169  0.5000  0.3986  1
  Rh  Rh5  4  0.1295  0.0000  0.1447  1
]