data_[Ba8Tl4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5985]
_cell_length_b [7.9067]
_cell_length_c [10.4114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4Tl2N]
_chemical_formula_sum '[Ba8 Tl4 N2]'
_cell_volume [603.9691]
_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
[
  Ba  Ba0  4  0.4781  0.0053  0.7113  1.0
  Ba  Ba1  2  0.0606  0.7500  0.3427  1.0
  Ba  Ba2  2  0.1656  0.7500  0.9792  1.0
  Tl  Tl3  2  0.1449  0.2500  0.3733  1.0
  Tl  Tl4  2  0.3297  0.2500  0.9856  1.0
  N  N5  2  0.3112  0.7500  0.2296  1.0
]