data_VGaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   151.96
_cell_angle_beta   151.96
_cell_angle_gamma   40.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaNi
_chemical_formula_sum   'V1 Ga1 Ni1'
_cell_volume   38.43
_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  0.05  1.0
  Ga  Ga0  1  0.0  0.0  0.42  1.0
  Ni  Ni1  1  0.0  0.0  0.52  1.0

data_VGaNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   110.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VGaNi
_chemical_formula_sum   'V2 Ga2 Ni2'
_cell_volume   76.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.05  0.0  0.05  1.0
  Ga  Ga1  2  0.42  0.0  0.42  1.0
  Ni  Ni2  2  0.02  0.5  0.52  1.0

V Ga Ni
V Ga Ni 0 0 + o + 0 0 o + + 0 2 o o o 0 1 o o o 1 2 o o o 