data_[Nb4Co4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.7471]
_cell_length_b [8.3154]
_cell_length_c [4.7018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NbCoRh]
_chemical_formula_sum '[Nb4 Co4 Rh4]'
_cell_volume [172.8979]
_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  2  0.0000  0.0131  0.0000  1
  Nb  Nb1  2  0.0000  0.7976  0.5000  1
  Co  Co2  2  0.0000  0.1499  0.5000  1
  Co  Co3  2  0.0000  0.4722  0.5000  1
  Rh  Rh4  2  0.0000  0.3326  0.0000  1
  Rh  Rh5  2  0.0000  0.6560  0.0000  1
]