data_V2InHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.82
_cell_angle_alpha   115.19
_cell_angle_beta   115.19
_cell_angle_gamma   32.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2InHg
_chemical_formula_sum   'V2 In1 Hg1'
_cell_volume   70.85
_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  0.17  0.0  0.18  1.0
  V  V3  1  0.26  0.0  0.36  1.0
  In  In1  1  0.31  0.0  0.05  1.0
  Hg  Hg0  1  0.34  0.0  0.22  1.0

data_V2InHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.82
_cell_length_c   5.51
_cell_angle_alpha   115.19
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2InHg
_chemical_formula_sum   'V2 In1 Hg1'
_cell_volume   70.85
_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  0.18  0.17  1.0
  V  V1  1  0.0  0.36  0.26  1.0
  In  In2  1  0.0  0.05  0.31  1.0
  Hg  Hg3  1  0.0  0.22  0.34  1.0

V V In Hg
V V In Hg 0 3 o o o 0 1 o o o 2 3 o o o 