data_VFe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.43
_cell_angle_alpha   100.1
_cell_angle_beta   100.1
_cell_angle_gamma   34.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Ir
_chemical_formula_sum   'V1 Fe2 Ir1'
_cell_volume   48.74
_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  0.53  0.0  0.34  1.0
  Fe  Fe0  1  0.03  0.0  0.05  1.0
  Fe  Fe1  1  0.15  0.0  0.02  1.0
  Ir  Ir2  1  0.82  0.0  0.13  1.0

data_VFe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.43
_cell_length_c   4.45
_cell_angle_alpha   100.1
_cell_angle_beta   107.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Ir
_chemical_formula_sum   'V1 Fe2 Ir1'
_cell_volume   48.74
_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  0.34  0.53  1.0
  Fe  Fe1  1  0.0  0.02  0.15  1.0
  Fe  Fe2  1  0.0  0.05  0.03  1.0
  Ir  Ir3  1  0.0  0.13  0.82  1.0

V Fe Fe Ir