data_[Ti16Mn8Sb12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6334]
_cell_length_b [5.5443]
_cell_length_c [13.3128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti4Mn2(SbN)3]
_chemical_formula_sum '[Ti16 Mn8 Sb12 N12]'
_cell_volume [688.7530]
_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  0.1088  0.0940  0.0777  1
  Ti  Ti1  8  0.2289  0.0792  0.4223  1
  Mn  Mn2  8  0.0541  0.4178  0.9238  1
  Sb  Sb3  8  0.1649  0.4217  0.2501  1
  Sb  Sb4  4  0.0000  0.0819  0.7500  1
  N  N5  8  0.0870  0.2404  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]