data_[Nd2Dy6C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.8306]
_cell_length_b [6.8306]
_cell_length_c [8.0466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [NdDy3C8]
_chemical_formula_sum '[Nd2 Dy6 C16]'
_cell_volume [375.4323]
_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  0.0000  0.0000  0.0000  1
  Dy  Dy1  4  0.0000  0.5000  0.2500  1
  Dy  Dy2  2  0.0000  0.0000  0.5000  1
  C  C3  8  0.1700  0.1700  0.2610  1
  C  C4  8  0.2402  0.2402  0.6408  1
]