data_[Nd2C2N4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4185]
_cell_length_b [3.8611]
_cell_length_c [6.4199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdCN2F]
_chemical_formula_sum '[Nd2 C2 N4 F2]'
_cell_volume [130.5614]
_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  0.1787  0.2500  0.7937  1.0
  C  C1  2  0.3380  0.2500  0.3194  1.0
  N  N2  2  0.1474  0.2500  0.3945  1.0
  N  N3  2  0.4816  0.7500  0.7671  1.0
  F  F4  2  0.1574  0.7500  0.0229  1.0
]