data_[Nb6Si6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4652]
_cell_length_b [3.7806]
_cell_length_c [11.0462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbSiRh]
_chemical_formula_sum '[Nb6 Si6 Rh6]'
_cell_volume [269.9826]
_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  2  0.0188  0.2500  0.7090  1.0
  Nb  Nb1  2  0.3494  0.7500  0.0769  1.0
  Nb  Nb2  2  0.4700  0.7500  0.3838  1.0
  Si  Si3  2  0.2362  0.2500  0.9151  1.0
  Si  Si4  2  0.2363  0.7500  0.5852  1.0
  Si  Si5  2  0.2722  0.2500  0.2506  1.0
  Rh  Rh6  2  0.0135  0.2500  0.0920  1.0
  Rh  Rh7  2  0.1473  0.2500  0.4600  1.0
  Rh  Rh8  2  0.3647  0.7500  0.7941  1.0
]