data_[Ag2Pd2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.3528]
_cell_length_b [4.1282]
_cell_length_c [9.2589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [AgPdSe4]
_chemical_formula_sum '[Ag2 Pd2 Se8]'
_cell_volume [273.1406]
_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
[
  Ag  Ag0  2  0.5000  0.4603  0.2500  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.1921  0.3964  0.9519  1.0
  Se  Se3  4  0.2810  0.0695  0.7831  1.0
]