data_[Pr2Nd4Ni4B4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7356]
_cell_length_b [3.7356]
_cell_length_c [20.8046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [PrNd2Ni2B2C3]
_chemical_formula_sum '[Pr2 Nd4 Ni4 B4 C6]'
_cell_volume [290.3187]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1
  Nd  Nd1  4  0.0000  0.0000  0.3719  1
  Ni  Ni2  4  0.0000  0.5000  0.2500  1
  B  B3  4  0.0000  0.0000  0.2005  1
  C  C4  4  0.0000  0.0000  0.1290  1
  C  C5  2  0.0000  0.0000  0.5000  1
]