data_[Ba3Tm1W2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-3m1]
_cell_length_a [6.2252]
_cell_length_b [6.2252]
_cell_length_c [7.4238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Tm(WN3)2]
_chemical_formula_sum '[Ba3 Tm1 W2 N6]'
_cell_volume [249.1498]
_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
[
  Ba  Ba0  2  0.3333  0.6667  0.3190  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  1  0.0000  0.0000  0.5000  1.0
  W  W3  2  0.3333  0.6667  0.7742  1.0
  N  N4  6  0.1709  0.3417  0.6974  1.0
]