data_[Pd6Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pma2]
_cell_length_a [7.2930]
_cell_length_b [7.6264]
_cell_length_c [19.9927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [28]
_chemical_formula_structural [Pd3Se5]
_chemical_formula_sum '[Pd6 Se10]'
_cell_volume [1111.9852]
_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  0.0000  0.0000  0.5290  1
  Pd  Pd1  2  0.0000  0.5000  0.4028  1
  Pd  Pd2  2  0.2500  0.2891  0.4696  1
  Se  Se3  4  0.0327  0.8265  0.4148  1
  Se  Se4  2  0.0000  0.0000  0.6513  1
  Se  Se5  2  0.0000  0.5000  0.5249  1
  Se  Se6  2  0.2500  0.1750  0.5934  1
]