data_[Cu4P2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1957]
_cell_length_b [4.4468]
_cell_length_c [5.6090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2PPd8]
_chemical_formula_sum '[Cu4 P2 Pd16]'
_cell_volume [328.9430]
_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
[
  Cu  Cu0  4  0.1865  0.0000  0.6867  1.0
  P  P1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0082  0.0000  0.7565  1.0
  Pd  Pd3  4  0.1226  0.5000  0.4037  1.0
  Pd  Pd4  4  0.1430  0.5000  0.9045  1.0
  Pd  Pd5  4  0.1880  0.0000  0.2136  1.0
]