data_[Ti4Mn4N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2064]
_cell_length_b [4.1223]
_cell_length_c [6.8498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TiMnN2]
_chemical_formula_sum '[Ti4 Mn4 N8]'
_cell_volume [175.2490]
_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  4  0.0794  0.7500  0.1320  1.0
  Mn  Mn1  4  0.1017  0.7500  0.6148  1.0
  N  N2  4  0.0710  0.2500  0.1273  1.0
  N  N3  4  0.1004  0.2500  0.6220  1.0
]