data_[Tm2Os2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.5394]
_cell_length_b [3.1880]
_cell_length_c [7.2828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TmOsN3]
_chemical_formula_sum '[Tm2 Os2 N6]'
_cell_volume [122.7958]
_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
[
  Tm  Tm0  2  0.1887  0.0000  0.8356  1
  Os  Os1  2  0.3333  0.5000  0.2132  1
  N  N2  2  0.2350  0.5000  0.4340  1
  N  N3  2  0.2875  0.5000  0.6129  1
  N  N4  1  0.0000  0.5000  0.0000  1
  N  N5  1  0.5000  0.5000  0.0000  1
]