data_V2HgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.67
_cell_angle_alpha   103.24
_cell_angle_beta   103.24
_cell_angle_gamma   39.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HgSe
_chemical_formula_sum   'V2 Hg1 Se1'
_cell_volume   74.37
_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  V2  1  0.52  0.0  0.03  1.0
  V  V3  1  0.24  0.0  0.49  1.0
  Hg  Hg0  1  0.73  0.0  0.97  1.0
  Se  Se1  1  0.17  0.0  0.77  1.0

data_V2HgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.61
_cell_length_c   5.67
_cell_angle_alpha   103.24
_cell_angle_beta   90.0
_cell_angle_gamma   109.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HgSe
_chemical_formula_sum   'V2 Hg1 Se1'
_cell_volume   74.37
_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  0.48  0.97  1.0
  V  V1  1  0.0  0.76  0.51  1.0
  Hg  Hg2  1  0.0  0.27  0.03  1.0
  Se  Se3  1  0.0  0.83  0.23  1.0

V V Hg Se
V V Hg Se 0 2 o o - 0 3 o o - 1 3 o o o 