data_VBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.65
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   92.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBi2Ir
_chemical_formula_sum   'V1 Bi2 Ir1'
_cell_volume   80.16
_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
  Bi  Bi0  1  0.61  0.83  0.62  1.0
  Bi  Bi1  1  0.41  0.83  0.02  1.0
  Ir  Ir2  1  0.86  0.0  0.32  1.0

data_VBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.65
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   92.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBi2Ir
_chemical_formula_sum   'V1 Bi2 Ir1'
_cell_volume   80.16
_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
  Bi  Bi1  1  0.41  0.83  0.02  1.0
  Bi  Bi2  1  0.61  0.83  0.62  1.0
  Ir  Ir3  1  0.86  0.0  0.32  1.0

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