data_[Li4Tb2Ta6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3825]
_cell_length_b [9.3375]
_cell_length_c [5.6873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Tb(TaN2)3]
_chemical_formula_sum '[Li4 Tb2 Ta6 N12]'
_cell_volume [271.7023]
_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  4  0.0000  0.3342  0.0000  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Ta  Ta2  4  0.0000  0.1715  0.5000  1
  Ta  Ta3  2  0.0000  0.5000  0.5000  1
  N  N4  8  0.2391  0.3318  0.7216  1
  N  N5  4  0.2410  0.0000  0.7179  1
]