data_[La12Tl4Ru2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.5582]
_cell_length_b [10.7479]
_cell_length_c [7.5397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La6Tl2RuN]
_chemical_formula_sum '[La12 Tl4 Ru2 N2]'
_cell_volume [612.4916]
_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
[
  La  La0  4  0.0000  0.2403  0.2470  1
  La  La1  4  0.2280  0.0000  0.9934  1
  La  La2  4  0.2463  0.0000  0.4759  1
  Tl  Tl3  4  0.0000  0.2512  0.7531  1
  Ru  Ru4  2  0.0000  0.5000  0.2247  1
  N  N5  2  0.0000  0.0000  0.2625  1
]