data_[Ti8Sb12Mo16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7384]
_cell_length_b [5.6223]
_cell_length_c [13.2867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti2Sb3Mo4N3]
_chemical_formula_sum '[Ti8 Sb12 Mo16 N12]'
_cell_volume [706.6884]
_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  0.0680  0.4086  0.4216  1
  Sb  Sb1  8  0.1669  0.4149  0.7494  1
  Sb  Sb2  4  0.0000  0.0848  0.2500  1
  Mo  Mo3  8  0.1134  0.0584  0.5818  1
  Mo  Mo4  8  0.2106  0.0975  0.9173  1
  N  N5  8  0.0773  0.2686  0.0004  1
  N  N6  4  0.2500  0.2500  0.5000  1
]