data_VSi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSi2Ni
_chemical_formula_sum   'V1 Si2 Ni1'
_cell_volume   48.64
_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  0.0  1.0
  Si  Si1  1  0.38  0.33  0.32  1.0
  Si  Si2  1  0.38  0.67  0.32  1.0
  Ni  Ni0  1  0.75  0.0  0.0  1.0

data_VSi2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   101.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSi2Ni
_chemical_formula_sum   'V1 Si2 Ni1'
_cell_volume   48.64
_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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.32  0.38  0.33  1.0
  Si  Si2  1  0.32  0.38  0.67  1.0
  Ni  Ni3  1  0.0  0.75  0.0  1.0

V Si Si Ni
V Si Si Ni 0 3 - o o 1 2 o o o 