data_V2SnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   134.41
_cell_angle_beta   134.41
_cell_angle_gamma   66.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SnIr
_chemical_formula_sum   'V2 Sn1 Ir1'
_cell_volume   61.93
_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  0.93  0.0  0.08  1.0
  V  V3  1  0.0  0.93  0.08  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.16  1.0

data_V2SnIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   123.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2SnIr
_chemical_formula_sum   'V4 Sn2 Ir2'
_cell_volume   123.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.04  0.04  0.15  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.0  0.0  0.16  1.0

V V Sn Ir
V V Sn Ir 0 3 + o o 0 2 + o o 1 3 o + o 1 2 o + o 2 3 o o o 