data_[Nd8C4F10]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7818]
_cell_length_b [6.8885]
_cell_length_c [15.3079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd4C2F5]
_chemical_formula_sum '[Nd8 C4 F10]'
_cell_volume [398.7851]
_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  4  0.0000  0.2343  0.5000  1.0
  Nd  Nd1  4  0.0000  0.5000  0.1927  1.0
  C  C2  4  0.0000  0.5000  0.0468  1.0
  F  F3  8  0.0000  0.2298  0.3144  1.0
  F  F4  2  0.0000  0.0000  0.0000  1.0
]