data_[Li4Tm8Nb4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [6.5821]
_cell_length_b [9.4004]
_cell_length_c [6.6029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [LiTm2NbN4]
_chemical_formula_sum '[Li4 Tm8 Nb4 N16]'
_cell_volume [408.5478]
_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
[
  Li  Li0  4  0.0000  0.0000  0.4411  1.0
  Tm  Tm1  8  0.2500  0.2500  0.1843  1.0
  Nb  Nb2  4  0.0000  0.0000  0.8938  1.0
  N  N3  8  0.0000  0.2219  0.9402  1.0
  N  N4  8  0.2314  0.0000  0.7067  1.0
]