data_[Tb2Nd1Y1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1197]
_cell_length_b [3.5340]
_cell_length_c [6.1198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb2NdYN4]
_chemical_formula_sum '[Tb2 Nd1 Y1 N4]'
_cell_volume [124.8207]
_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
[
  Tb  Tb0  1  0.5000  0.0000  0.5000  1.0
  Tb  Tb1  1  0.5000  0.5000  0.0000  1.0
  Nd  Nd2  1  0.0000  0.5000  0.5000  1.0
  Y  Y3  1  0.0000  0.0000  0.0000  1.0
  N  N4  2  0.2528  0.5000  0.2465  1.0
  N  N5  2  0.2564  0.0000  0.7566  1.0
]