data_Hf2VIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   145.13
_cell_angle_beta   132.61
_cell_angle_gamma   60.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VIr
_chemical_formula_sum   'Hf2 V1 Ir1'
_cell_volume   70.05
_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
  Hf  Hf0  1  0.0  0.22  0.74  1.0
  Hf  Hf1  1  0.0  0.0  0.49  1.0
  V  V3  1  0.0  0.0  0.04  1.0
  Ir  Ir2  1  0.0  0.22  0.06  1.0

data_Hf2VIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.44
_cell_length_c   5.52
_cell_angle_alpha   113.69
_cell_angle_beta   107.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VIr
_chemical_formula_sum   'Hf2 V1 Ir1'
_cell_volume   70.05
_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
  Hf  Hf0  1  0.0  0.49  0.49  1.0
  Hf  Hf1  1  0.78  0.52  0.52  1.0
  V  V2  1  0.0  0.04  0.04  1.0
  Ir  Ir3  1  0.78  0.84  0.84  1.0

Hf Hf V Ir