data_[Nb6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.8816]
_cell_length_b [13.8241]
_cell_length_c [4.8792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NbRh]
_chemical_formula_sum '[Nb6 Rh6]'
_cell_volume [194.3651]
_cell_formula_units_Z [6]
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  0.5000  0.1604  0.2935  1.0
  Nb  Nb1  2  0.5000  0.0000  0.6652  1.0
  Rh  Rh2  4  0.0000  0.1704  0.7965  1.0
  Rh  Rh3  2  0.0000  0.0000  0.1529  1.0
]