data_[Ca6Nd4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9095]
_cell_length_b [7.8984]
_cell_length_c [7.5545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca3(NdPd2)2]
_chemical_formula_sum '[Ca6 Nd4 Pd8]'
_cell_volume [447.2267]
_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
[
  Ca  Ca0  4  0.2474  0.1748  0.7469  1
  Ca  Ca1  2  0.5000  0.0000  0.5000  1
  Nd  Nd2  4  0.1922  0.6807  0.5679  1
  Pd  Pd3  4  0.0739  0.0272  0.3487  1
  Pd  Pd4  4  0.4748  0.6312  0.3705  1
]