data_VNi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.14
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   91.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2Bi
_chemical_formula_sum   'V1 Ni2 Bi1'
_cell_volume   62.38
_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  0.36  0.0  0.68  1.0
  Ni  Ni1  1  0.83  0.0  0.35  1.0
  Ni  Ni2  1  0.87  0.07  0.38  1.0
  Bi  Bi0  1  0.08  0.07  0.65  1.0

data_VNi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.14
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   91.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2Bi
_chemical_formula_sum   'V1 Ni2 Bi1'
_cell_volume   62.38
_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  0.36  0.0  0.68  1.0
  Ni  Ni1  1  0.83  0.0  0.35  1.0
  Ni  Ni2  1  0.87  0.07  0.38  1.0
  Bi  Bi3  1  0.08  0.07  0.65  1.0

V Ni Ni Bi
V Ni Ni Bi 0 3 o o o 1 2 o o o 