data_VHgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   144.99
_cell_angle_beta   129.42
_cell_angle_gamma   62.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgOs2
_chemical_formula_sum   'V1 Hg1 Os2'
_cell_volume   62.86
_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  0.64  1.0
  Hg  Hg0  1  0.57  0.0  0.34  1.0
  Os  Os1  1  0.0  0.0  0.83  1.0
  Os  Os2  1  0.0  0.24  0.06  1.0

data_VHgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.47
_cell_length_c   5.23
_cell_angle_alpha   115.29
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgOs2
_chemical_formula_sum   'V1 Hg1 Os2'
_cell_volume   62.86
_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  0.36  0.36  0.36  1.0
  Hg  Hg1  1  0.24  0.66  0.24  1.0
  Os  Os2  1  0.17  0.17  0.17  1.0
  Os  Os3  1  0.94  0.18  0.18  1.0

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