data_[Cr4Ni8Pd4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [C2/c]
_cell_length_a [11.9642]
_cell_length_b [10.9643]
_cell_length_c [6.3137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrNi2PdSe6]
_chemical_formula_sum '[Cr4 Ni8 Pd4 Se24]'
_cell_volume [807.6401]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  4  0.0000  0.0923  0.7500  1
  Ni  Ni1  8  0.1851  0.4101  0.8132  1
  Pd  Pd2  4  0.0000  0.2598  0.2500  1
  Se  Se3  8  0.1034  0.4329  0.0973  1
  Se  Se4  8  0.1154  0.0824  0.1316  1
  Se  Se5  8  0.1319  0.2317  0.6272  1
]