data_[Ni4As2Pd2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  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 [6.0582]
_cell_length_b [3.7436]
_cell_length_c [7.4659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ni2AsPdSe]
_chemical_formula_sum '[Ni4 As2 Pd2 Se2]'
_cell_volume [162.8847]
_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  0.1023  0.2500  0.6289  1.0
  Ni  Ni1  2  0.4068  0.7500  0.8681  1.0
  As  As2  2  0.2016  0.2500  0.9492  1.0
  Pd  Pd3  2  0.2451  0.7500  0.1809  1.0
  Se  Se4  2  0.2851  0.7500  0.5403  1.0
]