data_[Ti2Mo2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2516]
_cell_length_b [3.7594]
_cell_length_c [5.4241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiMoN3]
_chemical_formula_sum '[Ti2 Mo2 N6]'
_cell_volume [99.7354]
_cell_formula_units_Z [2]
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  2  0.4786  0.2500  0.7238  1
  Mo  Mo1  2  0.0010  0.2500  0.3147  1
  N  N2  4  0.2484  0.0731  0.9806  1
  N  N3  2  0.2601  0.7500  0.4854  1
]