data_[Nd8Ta4Sn4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ta  1.5000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3354]
_cell_length_b [14.1745]
_cell_length_c [10.6347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2TaSnN5]
_chemical_formula_sum '[Nd8 Ta4 Sn4 N20]'
_cell_volume [502.7892]
_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
[
  Nd  Nd0  4  0.0000  0.1170  0.7070  1.0
  Nd  Nd1  4  0.0000  0.1340  0.2812  1.0
  Ta  Ta2  4  0.0000  0.2261  0.0057  1.0
  Sn  Sn3  4  0.0000  0.4822  0.4720  1.0
  N  N4  4  0.0000  0.0677  0.0578  1.0
  N  N5  4  0.0000  0.2810  0.6378  1.0
  N  N6  4  0.0000  0.2994  0.3782  1.0
  N  N7  4  0.0000  0.3652  0.0044  1.0
  N  N8  4  0.0000  0.4984  0.7799  1.0
]