data_VTc2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.75
_cell_angle_alpha   106.37
_cell_angle_beta   106.37
_cell_angle_gamma   34.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTc2Hg
_chemical_formula_sum   'V1 Tc2 Hg1'
_cell_volume   63.21
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.55  0.0  0.99  1.0
  Tc  Tc2  1  0.5  0.0  0.55  1.0
  Hg  Hg0  1  0.03  0.0  0.27  1.0

data_VTc2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.75
_cell_length_c   4.95
_cell_angle_alpha   106.37
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTc2Hg
_chemical_formula_sum   'V1 Tc2 Hg1'
_cell_volume   63.21
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.55  0.5  1.0
  Tc  Tc2  1  0.0  0.99  0.55  1.0
  Hg  Hg3  1  0.0  0.27  0.03  1.0

V Tc Tc Hg