data_VSiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   2.74
_cell_angle_alpha   104.9
_cell_angle_beta   104.9
_cell_angle_gamma   116.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiIr2
_chemical_formula_sum   'V1 Si1 Ir2'
_cell_volume   56.35
_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  0.71  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.69  0.82  0.19  1.0
  Ir  Ir1  1  0.69  0.18  0.19  1.0

data_VSiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.73
_cell_length_c   5.13
_cell_angle_alpha   117.07
_cell_angle_beta   104.9
_cell_angle_gamma   91.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiIr2
_chemical_formula_sum   'V1 Si1 Ir2'
_cell_volume   56.35
_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  0.71  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.02  0.82  0.51  1.0
  Ir  Ir3  1  0.37  0.18  0.87  1.0

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