data_[U9V3Hg9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8504]
_cell_length_b [7.8504]
_cell_length_c [28.6087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [U3VHg3Se8]
_chemical_formula_sum '[U9 V3 Hg9 Se24]'
_cell_volume [1526.9087]
_cell_formula_units_Z [3]
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
[
  U  U0  9  0.0000  0.5000  0.0000  1
  V  V1  3  -0.0000  -0.0000  0.0000  1
  Hg  Hg2  9  0.0000  0.5000  0.5000  1
  Se  Se3  18  0.0197  0.5098  0.7202  1
  Se  Se4  6  0.0000  0.0000  0.2759  1
]