data_HfBiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   4.09
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBiIr2
_chemical_formula_sum   'Hf1 Bi1 Ir2'
_cell_volume   80.31
_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  0.4  0.0  0.79  1.0
  Bi  Bi0  1  0.13  0.05  0.37  1.0
  Ir  Ir2  1  0.18  0.05  0.09  1.0
  Ir  Ir3  1  0.93  0.0  0.49  1.0

data_HfBiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.09
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBiIr2
_chemical_formula_sum   'Hf1 Bi1 Ir2'
_cell_volume   80.31
_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  0.4  0.0  0.79  1.0
  Bi  Bi1  1  0.13  0.05  0.37  1.0
  Ir  Ir2  1  0.18  0.05  0.09  1.0
  Ir  Ir3  1  0.93  0.0  0.49  1.0

Hf Bi Ir Ir
Hf Bi Ir Ir 0 1 o o o 0 3 - o o 0 2 o o + 1 3 - o o 1 2 o o o 