data_VHgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   148.27
_cell_angle_beta   131.54
_cell_angle_gamma   59.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgMo
_chemical_formula_sum   'V1 Hg1 Mo1'
_cell_volume   50.03
_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  0.0  0.0  0.86  1.0
  Hg  Hg0  1  0.0  0.0  0.76  1.0
  Mo  Mo1  1  0.0  0.0  0.92  1.0

data_VHgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.14
_cell_length_c   5.04
_cell_angle_alpha   114.23
_cell_angle_beta   105.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgMo
_chemical_formula_sum   'V1 Hg1 Mo1'
_cell_volume   50.03
_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  0.14  0.14  0.14  1.0
  Hg  Hg1  1  0.24  0.24  0.24  1.0
  Mo  Mo2  1  0.08  0.08  0.08  1.0

V Hg Mo
V Hg Mo 0 2 o o o 0 1 o o o 