data_[Cu3Mo3Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7878]
_cell_length_b [2.7878]
_cell_length_c [26.1655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CuMoPd2]
_chemical_formula_sum '[Cu3 Mo3 Pd6]'
_cell_volume [176.1151]
_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
[
  Cu  Cu0  3  0.0000  0.0000  0.6666  1.0
  Mo  Mo1  3  0.0000  0.0000  0.5002  1.0
  Pd  Pd2  3  0.0000  0.0000  0.0819  1.0
  Pd  Pd3  3  0.0000  0.0000  0.2513  1.0
]