data_V2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.89
_cell_angle_alpha   102.33
_cell_angle_beta   102.33
_cell_angle_gamma   39.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BiIr
_chemical_formula_sum   'V2 Bi1 Ir1'
_cell_volume   68.71
_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  V2  1  1.0  0.0  0.04  1.0
  V  V3  1  0.55  0.0  0.81  1.0
  Bi  Bi0  1  0.96  0.0  0.44  1.0
  Ir  Ir1  1  0.41  0.0  0.85  1.0

data_V2BiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.79
_cell_length_c   4.89
_cell_angle_alpha   102.33
_cell_angle_beta   90.0
_cell_angle_gamma   109.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BiIr
_chemical_formula_sum   'V2 Bi1 Ir1'
_cell_volume   68.71
_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  0.96  1.0
  V  V1  1  0.0  0.45  0.19  1.0
  Bi  Bi2  1  0.0  0.04  0.56  1.0
  Ir  Ir3  1  0.0  0.59  0.15  1.0

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