data_[Cr3Ni21Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.7292]
_cell_length_b [10.7292]
_cell_length_c [8.4431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CrNi7Pd12]
_chemical_formula_sum '[Cr3 Ni21 Pd36]'
_cell_volume [841.7116]
_cell_formula_units_Z [3]
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
[
  Cr  Cr0  3  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  18  0.0704  0.5582  0.6181  1.0
  Ni  Ni2  3  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  18  0.0147  0.7526  0.5225  1.0
  Pd  Pd4  18  0.0591  0.8917  0.2422  1.0
]