data_[Ni2Mo4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7739]
_cell_length_b [3.8916]
_cell_length_c [8.3065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni(MoPd3)2]
_chemical_formula_sum '[Ni2 Mo4 Pd12]'
_cell_volume [270.2994]
_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
[
  Ni  Ni0  2  0.0000  0.0000  0.5000  1
  Mo  Mo1  4  0.1808  0.5000  0.0619  1
  Pd  Pd2  4  0.0011  0.0000  0.1649  1
  Pd  Pd3  4  0.1636  0.5000  0.7214  1
  Pd  Pd4  4  0.1686  0.5000  0.3903  1
]