data_[Co4Ni2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2061]
_cell_length_b [3.8744]
_cell_length_c [6.0911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co2NiPd6]
_chemical_formula_sum '[Co4 Ni2 Pd12]'
_cell_volume [251.9601]
_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
[
  Co  Co0  4  0.0551  0.5000  0.8471  1.0
  Ni  Ni1  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  4  0.1052  0.0000  0.1719  1.0
  Pd  Pd3  4  0.1552  0.5000  0.5007  1.0
  Pd  Pd4  4  0.2152  0.0000  0.8323  1.0
]