data_[Nd8C8F4]
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 [C2/c]
_cell_length_a [13.4448]
_cell_length_b [4.3815]
_cell_length_c [6.6152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2C2F]
_chemical_formula_sum '[Nd8 C8 F4]'
_cell_volume [369.0627]
_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  8  0.1424  0.3225  0.6087  1.0
  C  C1  8  0.2219  0.1251  0.0133  1.0
  F  F2  4  0.0000  0.4510  0.2500  1.0
]