data_[Ti6Rh1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6873]
_cell_length_b [5.2586]
_cell_length_c [5.3581]
_cell_angle_alpha [96.8975]
_cell_angle_beta [112.9281]
_cell_angle_gamma [91.3736]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti6RhN]
_chemical_formula_sum '[Ti6 Rh1 N1]'
_cell_volume [120.3936]
_cell_formula_units_Z [1]
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  0.0623  0.7952  0.6599  1.0
  Ti  Ti1  2  0.2249  0.3287  0.9647  1.0
  Ti  Ti2  2  0.4034  0.8809  0.2532  1.0
  Rh  Rh3  1  0.5000  0.5000  0.5000  1.0
  N  N4  1  0.0000  0.0000  0.0000  1.0
]