data_[Cu2Pd12Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8065]
_cell_length_b [5.6631]
_cell_length_c [9.3783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu(Pd3Se)2]
_chemical_formula_sum '[Cu2 Pd12 Se4]'
_cell_volume [296.1868]
_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  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0825  0.1626  0.4355  1.0
  Pd  Pd2  4  0.2032  0.6426  0.4403  1.0
  Pd  Pd3  4  0.4658  0.6619  0.2754  1.0
  Se  Se4  4  0.2139  0.1785  0.7516  1.0
]