data_Hf2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   4.75
_cell_angle_alpha   110.16
_cell_angle_beta   110.16
_cell_angle_gamma   35.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiIr
_chemical_formula_sum   'Hf2 Bi1 Ir1'
_cell_volume   86.17
_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  Hf1  1  0.35  0.0  0.41  1.0
  Hf  Hf2  1  0.14  0.0  0.99  1.0
  Bi  Bi0  1  0.24  0.0  0.1  1.0
  Ir  Ir3  1  0.71  0.0  0.57  1.0

data_Hf2BiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.75
_cell_length_c   5.82
_cell_angle_alpha   110.16
_cell_angle_beta   107.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiIr
_chemical_formula_sum   'Hf2 Bi1 Ir1'
_cell_volume   86.17
_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  0.41  0.35  1.0
  Hf  Hf1  1  0.0  0.99  0.14  1.0
  Bi  Bi2  1  0.0  0.1  0.24  1.0
  Ir  Ir3  1  0.0  0.57  0.71  1.0

Hf Hf Bi Ir