data_[Li4Tb8Ta4N16]
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 [Fmm2]
_cell_length_a [6.7329]
_cell_length_b [9.5760]
_cell_length_c [6.7603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [LiTb2TaN4]
_chemical_formula_sum '[Li4 Tb8 Ta4 N16]'
_cell_volume [435.8659]
_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  0.4479  1.0
  Tb  Tb1  8  0.2500  0.2500  0.1828  1.0
  Ta  Ta2  4  0.0000  0.0000  0.8891  1.0
  N  N3  8  0.0000  0.2147  0.9410  1.0
  N  N4  8  0.2241  0.0000  0.7064  1.0
]