data_[Nd2N1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5402]
_cell_length_b [21.1639]
_cell_length_c [6.7646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Nd2NF3]
_chemical_formula_sum '[Nd2 N1 F3]'
_cell_volume [500.7951]
_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
[
  Nd  Nd0  2  0.2081  0.4265  0.1125  1
  N  N1  1  0.6821  0.5000  0.0253  1
  F  F2  2  0.7094  0.3544  0.1170  1
  F  F3  1  0.2832  0.5000  0.3707  1
]