data_[V8Hg2Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6733]
_cell_length_b [3.8794]
_cell_length_c [12.9130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.1569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V4HgBr8]
_chemical_formula_sum '[V8 Hg2 Br16]'
_cell_volume [704.2992]
_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  0.1471  0.5000  0.4710  1
  V  V1  4  0.1636  0.0000  0.8250  1
  Hg  Hg2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.0410  0.5000  0.7413  1
  Br  Br4  4  0.1334  0.0000  0.5939  1
  Br  Br5  4  0.1642  0.0000  0.3483  1
  Br  Br6  4  0.2098  0.0000  0.0701  1
]