data_[Nd2Zn2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5705]
_cell_length_b [5.5898]
_cell_length_c [6.8897]
_cell_angle_alpha [76.1246]
_cell_angle_beta [82.0166]
_cell_angle_gamma [89.1926]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NdZnN3]
_chemical_formula_sum '[Nd2 Zn2 N6]'
_cell_volume [132.1752]
_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
[
  Nd  Nd0  2  0.3304  0.4691  0.7655  1.0
  Zn  Zn1  2  0.2084  0.0532  0.1482  1.0
  N  N2  2  0.1186  0.7559  0.4190  1.0
  N  N3  2  0.1565  0.2807  0.4474  1.0
  N  N4  2  0.2632  0.7681  0.9712  1.0
]