data_[Ti8Mn16Sn12N12]
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
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3961]
_cell_length_b [5.3871]
_cell_length_c [13.6095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti2Mn4(SnN)3]
_chemical_formula_sum '[Ti8 Mn16 Sn12 N12]'
_cell_volume [668.2695]
_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  0.0625  0.4124  0.9258  1
  Mn  Mn1  8  0.1070  0.0761  0.0788  1
  Mn  Mn2  8  0.2206  0.0907  0.4208  1
  Sn  Sn3  8  0.1695  0.4153  0.2496  1
  Sn  Sn4  4  0.0000  0.0774  0.7500  1
  N  N5  8  0.0813  0.2571  0.5005  1
  N  N6  4  0.2500  0.2500  0.0000  1
]