data_[Ni2Pd2Se5]
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 [P-1]
_cell_length_a [4.9769]
_cell_length_b [6.1689]
_cell_length_c [6.5413]
_cell_angle_alpha [112.2434]
_cell_angle_beta [96.6262]
_cell_angle_gamma [106.8986]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni2Pd2Se5]
_chemical_formula_sum '[Ni2 Pd2 Se5]'
_cell_volume [172.0004]
_cell_formula_units_Z [1]
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  0.2165  0.4318  0.2745  1
  Pd  Pd1  2  0.1535  0.8780  0.5819  1
  Se  Se2  2  0.2855  0.5304  0.6695  1
  Se  Se3  2  0.3359  0.8027  0.2244  1
  Se  Se4  1  0.0000  0.0000  0.0000  1
]