data_V2HgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.47
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   91.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HgPd
_chemical_formula_sum   'V2 Hg1 Pd1'
_cell_volume   62.41
_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  0.35  0.24  0.94  1.0
  V  V3  1  0.32  0.0  0.33  1.0
  Hg  Hg0  1  1.0  0.24  0.38  1.0
  Pd  Pd1  1  0.89  0.0  0.04  1.0

data_V2HgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.47
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   91.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HgPd
_chemical_formula_sum   'V2 Hg1 Pd1'
_cell_volume   62.41
_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  0.32  0.0  0.33  1.0
  V  V1  1  0.35  0.24  0.94  1.0
  Hg  Hg2  1  1.0  0.24  0.38  1.0
  Pd  Pd3  1  0.89  0.0  0.04  1.0

V V Hg Pd
V V Hg Pd 0 3 - o + 0 3 o o + 1 2 - o o 1 3 o o o 1 3 - o o 2 3 o o o 