data_[Ti6Nb2Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.9672]
_cell_length_b [5.8134]
_cell_length_c [4.7055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Ti3NbRh4]
_chemical_formula_sum '[Ti6 Nb2 Rh8]'
_cell_volume [245.2968]
_cell_formula_units_Z [2]
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
[
  Ti  Ti0  2  0.0000  0.0000  0.0000  1
  Ti  Ti1  2  0.2500  0.0000  0.5768  1
  Ti  Ti2  2  0.2500  0.5000  0.5705  1
  Nb  Nb3  2  0.0000  0.5000  0.0000  1
  Rh  Rh4  4  0.0000  0.2474  0.5000  1
  Rh  Rh5  4  0.2500  0.2459  0.0944  1
]