data_TaVHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVHg2
_chemical_formula_sum   'Ta1 V1 Hg2'
_cell_volume   75.21
_cell_formula_units_Z   1
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
  Ta  Ta2  1  0.44  0.44  0.7  1.0
  V  V3  1  0.0  0.0  0.79  1.0
  Hg  Hg0  1  0.44  0.44  0.91  1.0
  Hg  Hg1  1  0.0  0.0  0.37  1.0

data_TaVHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaVHg2
_chemical_formula_sum   'Ta2 V2 Hg4'
_cell_volume   150.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.44  0.0  0.7  1.0
  V  V1  2  0.0  0.0  0.79  1.0
  Hg  Hg2  2  0.0  0.0  0.37  1.0
  Hg  Hg3  2  0.44  0.0  0.91  1.0

Ta V Hg Hg