data_[V4Ni2Pd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  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/m]
_cell_length_a [6.3503]
_cell_length_b [11.0415]
_cell_length_c [5.8935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2Ni(PdSe3)2]
_chemical_formula_sum '[V4 Ni2 Pd4 Se12]'
_cell_volume [412.9470]
_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
[
  V  V0  4  0.0000  0.1538  0.5000  1.0
  Ni  Ni1  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  4  0.0000  0.1681  0.0000  1.0
  Se  Se3  8  0.1605  0.3375  0.7265  1.0
  Se  Se4  4  0.1898  0.0000  0.7500  1.0
]