data_[Nd12Zn4N4]
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 [C2/m]
_cell_length_a [14.7711]
_cell_length_b [3.7140]
_cell_length_c [8.9523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3ZnN]
_chemical_formula_sum '[Nd12 Zn4 N4]'
_cell_volume [490.9191]
_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  0.0470  0.0000  0.2736  1.0
  Nd  Nd1  4  0.1499  0.5000  0.9704  1.0
  Nd  Nd2  4  0.2461  0.0000  0.6830  1.0
  Zn  Zn3  4  0.0890  0.5000  0.5527  1.0
  N  N4  4  0.1976  0.0000  0.1494  1.0
]