data_[Ag10Pd2Se8]
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 [C2/m]
_cell_length_a [16.1326]
_cell_length_b [3.9483]
_cell_length_c [7.1741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag5PdSe4]
_chemical_formula_sum '[Ag10 Pd2 Se8]'
_cell_volume [428.8589]
_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  4  0.1697  0.0000  0.4760  1
  Ag  Ag1  4  0.1845  0.0000  0.8936  1
  Ag  Ag2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0132  0.0000  0.7705  1
  Se  Se5  4  0.1749  0.5000  0.2076  1
]