data_[Pd2Au4Se6]
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 [Pmma]
_cell_length_a [4.8646]
_cell_length_b [20.0011]
_cell_length_c [8.2614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PdAu2Se3]
_chemical_formula_sum '[Pd2 Au4 Se6]'
_cell_volume [803.7995]
_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
[
  Pd  Pd0  2  0.2500  0.0000  0.7629  1
  Au  Au1  4  0.2500  0.0899  0.0932  1
  Se  Se2  4  0.2500  0.1250  0.7897  1
  Se  Se3  2  0.2500  0.0000  0.3224  1
]