data_[Pd8Au4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3570]
_cell_length_b [9.6535]
_cell_length_c [5.3743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pd2AuSe2]
_chemical_formula_sum '[Pd8 Au4 Se8]'
_cell_volume [400.5717]
_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
[
  Pd  Pd0  4  0.0000  0.1948  0.7500  1
  Pd  Pd1  4  0.0000  0.3824  0.2500  1
  Au  Au2  4  0.0000  0.0957  0.2500  1
  Se  Se3  8  0.1893  0.3945  0.9941  1
]