data_[Li2Tm4Nb6N12]
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 [C2/m]
_cell_length_a [14.2122]
_cell_length_b [3.1624]
_cell_length_c [6.4662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTm2(NbN2)3]
_chemical_formula_sum '[Li2 Tm4 Nb6 N12]'
_cell_volume [279.7863]
_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
[
  Li  Li0  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm1  4  0.1604  0.0000  0.3166  1.0
  Nb  Nb2  4  0.1550  0.0000  0.8187  1.0
  Nb  Nb3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0047  0.0000  0.7460  1.0
  N  N5  4  0.1660  0.5000  0.5882  1.0
  N  N6  4  0.1705  0.5000  0.0631  1.0
]