data_[V4Cd4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0755]
_cell_length_b [4.6521]
_cell_length_c [6.0433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VCdHg]
_chemical_formula_sum '[V4 Cd4 Hg4]'
_cell_volume [236.7137]
_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  0.1873  0.0000  0.1511  1
  V  V1  2  0.4644  0.5000  0.9588  1
  Cd  Cd2  2  0.0405  0.5000  0.2880  1
  Cd  Cd3  2  0.3954  0.5000  0.4219  1
  Hg  Hg4  2  0.1231  0.5000  0.8498  1
  Hg  Hg5  2  0.2650  0.0000  0.6745  1
]