data_[Ti16Rh4N8]
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 [Cmcm]
_cell_length_a [3.0350]
_cell_length_b [10.4241]
_cell_length_c [11.0430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti4RhN2]
_chemical_formula_sum '[Ti16 Rh4 N8]'
_cell_volume [349.3719]
_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
[
  Ti  Ti0  8  0.0000  0.2368  0.6044  1.0
  Ti  Ti1  4  0.0000  0.0836  0.2500  1.0
  Ti  Ti2  4  0.0000  0.5000  0.0000  1.0
  Rh  Rh3  4  0.0000  0.3932  0.2500  1.0
  N  N4  8  0.0000  0.1336  0.0594  1.0
]