data_VNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48
_cell_length_b   2.48
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi3
_chemical_formula_sum   'V1 Ni3'
_cell_volume   45.03
_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  V3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.67  0.0  0.87  1.0
  Ni  Ni1  1  0.67  0.0  0.47  1.0
  Ni  Ni2  1  0.0  0.0  0.67  1.0

data_VNi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   2.48
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi3
_chemical_formula_sum   'V1 Ni3'
_cell_volume   45.03
_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  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.67  1.0
  Ni  Ni2  1  0.67  0.0  0.47  1.0
  Ni  Ni3  1  0.67  0.0  0.87  1.0

V Ni Ni Ni