data_[Tm1W1N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0632]
_cell_length_b [3.5949]
_cell_length_c [5.5511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TmWN3]
_chemical_formula_sum '[Tm1 W1 N3]'
_cell_volume [75.5923]
_cell_formula_units_Z [1]
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
[
  Tm  Tm0  1  0.0890  0.5000  0.8883  1.0
  W  W1  1  0.3728  0.0000  0.5229  1.0
  N  N2  1  0.2167  0.0000  0.1741  1.0
  N  N3  1  0.4982  0.5000  0.6945  1.0
  N  N4  1  0.9484  0.0000  0.5953  1.0
]