data_[Cu4Pd8Pt4Se24]
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
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8337]
_cell_length_b [11.9607]
_cell_length_c [6.7799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuPd2PtSe6]
_chemical_formula_sum '[Cu4 Pd8 Pt4 Se24]'
_cell_volume [813.4882]
_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  0.2389  0.7500  1.0
  Pd  Pd1  8  0.1281  0.4138  0.2395  1.0
  Pt  Pt2  4  0.0000  0.0772  0.2500  1.0
  Se  Se3  8  0.1077  0.3877  0.6105  1.0
  Se  Se4  8  0.1234  0.0815  0.6531  1.0
  Se  Se5  8  0.1519  0.2096  0.1631  1.0
]