data_[Ni4Mo4Pd4]
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 [Cm]
_cell_length_a [9.9889]
_cell_length_b [2.7515]
_cell_length_c [6.3292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiMoPd]
_chemical_formula_sum '[Ni4 Mo4 Pd4]'
_cell_volume [167.7090]
_cell_formula_units_Z [4]
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  0.1200  0.0000  0.7246  1.0
  Ni  Ni1  2  0.1733  0.0000  0.3257  1.0
  Mo  Mo2  2  0.0129  0.5000  0.9979  1.0
  Mo  Mo3  2  0.4744  0.0000  0.3947  1.0
  Pd  Pd4  2  0.2893  0.5000  0.0636  1.0
  Pd  Pd5  2  0.3382  0.5000  0.6499  1.0
]