data_[V4Hg4Se4O4]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.4142]
_cell_length_b [5.4214]
_cell_length_c [11.6616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [VHgSeO]
_chemical_formula_sum '[V4 Hg4 Se4 O4]'
_cell_volume [342.2336]
_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
[
  V  V0  2  0.0019  0.3286  0.5714  1
  V  V1  2  0.4967  0.3287  0.4224  1
  Hg  Hg2  2  0.0214  0.5945  0.9961  1
  Hg  Hg3  2  0.4967  0.8298  0.2272  1
  Se  Se4  2  0.1843  0.5128  0.2570  1
  Se  Se5  2  0.1923  0.6494  0.7438  1
  O  O6  2  0.2429  0.5777  0.5006  1
  O  O7  2  0.2725  0.0785  0.5002  1
]