data_[Cu4Mo4Pd12]
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 [Cmcm]
_cell_length_a [2.6926]
_cell_length_b [14.1676]
_cell_length_c [8.6897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CuMoPd3]
_chemical_formula_sum '[Cu4 Mo4 Pd12]'
_cell_volume [331.4965]
_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
[
  Cu  Cu0  4  0.0000  0.2390  0.7500  1
  Mo  Mo1  4  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.0000  0.3367  0.0235  1
  Pd  Pd3  4  0.0000  0.0945  0.2500  1
]