data_VSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   3.26
_cell_angle_alpha   99.34
_cell_angle_beta   99.34
_cell_angle_gamma   94.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiBi2
_chemical_formula_sum   'V1 Si1 Bi2'
_cell_volume   90.38
_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  0.64  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.43  0.96  0.58  1.0
  Bi  Bi1  1  0.43  0.04  0.58  1.0

data_VSiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   94.17
_cell_angle_beta   99.34
_cell_angle_gamma   99.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiBi2
_chemical_formula_sum   'V1 Si1 Bi2'
_cell_volume   90.38
_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  0.0  0.64  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.58  0.43  0.04  1.0
  Bi  Bi3  1  0.58  0.43  0.96  1.0

V Si Bi Bi
V Si Bi Bi 0 2 o - - 0 3 o o - 0 1 + o o 2 3 o + o 