data_VZnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   2.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnNi
_chemical_formula_sum   'V1 Zn1 Ni1'
_cell_volume   37.69
_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  V1  1  0.0  0.0  0.74  1.0
  Zn  Zn2  1  0.09  0.2  0.85  1.0
  Ni  Ni0  1  1.0  0.41  0.41  1.0

data_VZnNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   4.17
_cell_length_c   4.17
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnNi
_chemical_formula_sum   'V1 Zn1 Ni1'
_cell_volume   37.69
_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  0.74  0.0  0.0  1.0
  Zn  Zn1  1  0.85  0.09  0.2  1.0
  Ni  Ni2  1  0.41  1.0  0.41  1.0

V Zn Ni
V Zn Ni 0 1 o o o 0 2 - o o 1 2 - o + 1 2 - o o 