data_[V4Hg4Pd2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  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 [6.1495]
_cell_length_b [10.2848]
_cell_length_c [9.1276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2Hg2PdSe6]
_chemical_formula_sum '[V4 Hg4 Pd2 Se12]'
_cell_volume [543.6149]
_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  0.2022  0.5000  1.0
  Hg  Hg1  4  0.0000  0.1613  0.0000  1.0
  Pd  Pd2  2  0.0000  0.5000  0.5000  1.0
  Se  Se3  8  0.0928  0.3346  0.3119  1.0
  Se  Se4  4  0.0749  0.0000  0.3503  1.0
]