data_[Ni4Pd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4226]
_cell_length_b [3.6088]
_cell_length_c [10.3272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ni2PdSe3]
_chemical_formula_sum '[Ni4 Pd2 Se6]'
_cell_volume [231.2459]
_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
[
  Ni  Ni0  2  0.0645  0.2500  0.4278  1
  Ni  Ni1  2  0.3908  0.7500  0.9022  1
  Pd  Pd2  2  0.2350  0.2500  0.6986  1
  Se  Se3  2  0.0217  0.7500  0.8051  1
  Se  Se4  2  0.2931  0.7500  0.5218  1
  Se  Se5  2  0.3902  0.7500  0.1275  1
]