data_[La4Nd8Tc4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Tc  1.9000  1.3500  0.7417
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5605]
_cell_length_b [12.1463]
_cell_length_c [12.0918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaNd2TcN4]
_chemical_formula_sum '[La4 Nd8 Tc4 N16]'
_cell_volume [522.9388]
_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
[
  La  La0  4  0.0000  0.1195  0.7500  1
  Nd  Nd1  8  0.0000  0.3682  0.5405  1
  Tc  Tc2  4  0.0000  0.1493  0.2500  1
  N  N3  8  0.0000  0.2681  0.1344  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4250  0.7500  1
]