data_VBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   136.5
_cell_angle_beta   136.5
_cell_angle_gamma   63.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBi2Ir
_chemical_formula_sum   'V1 Bi2 Ir1'
_cell_volume   82.33
_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  0.08  0.0  0.39  1.0
  Bi  Bi1  1  0.0  0.0  0.77  1.0
  Ir  Ir2  1  0.0  0.08  0.39  1.0

data_VBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.6
_cell_angle_alpha   111.75
_cell_angle_beta   111.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBi2Ir
_chemical_formula_sum   'V1 Bi2 Ir1'
_cell_volume   82.33
_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  0.23  0.0  0.23  1.0
  Bi  Bi2  1  0.61  0.0  0.69  1.0
  Ir  Ir3  1  0.69  0.08  0.69  1.0

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