data_[Tb8Tl10N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2037]
_cell_length_b [3.6348]
_cell_length_c [8.6976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4Tl5N]
_chemical_formula_sum '[Tb8 Tl10 N2]'
_cell_volume [535.6217]
_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
[
  Tb  Tb0  4  0.0023  0.0000  0.1859  1
  Tb  Tb1  4  0.1458  0.5000  0.0466  1
  Tl  Tl2  4  0.1729  0.0000  0.7382  1
  Tl  Tl3  4  0.1781  0.0000  0.3825  1
  Tl  Tl4  2  0.0000  0.5000  0.5000  1
  N  N5  2  0.0000  0.5000  0.0000  1
]