data_[Nd7Tl3N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0951]
_cell_length_b [4.9552]
_cell_length_c [12.7946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd7Tl3N2]
_chemical_formula_sum '[Nd7 Tl3 N2]'
_cell_volume [317.4229]
_cell_formula_units_Z [1]
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
[
  Nd  Nd0  2  0.0947  0.5000  0.1924  1.0
  Nd  Nd1  2  0.2008  0.0000  0.3983  1.0
  Nd  Nd2  2  0.3979  0.0000  0.7962  1.0
  Nd  Nd3  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.3085  0.5000  0.6131  1.0
  Tl  Tl5  1  0.5000  0.5000  0.0000  1.0
  N  N6  2  0.0989  0.0000  0.2023  1.0
]