data_Hf2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   32.48
_cell_angle_beta   32.48
_cell_angle_gamma   32.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiIr
_chemical_formula_sum   'Hf2 Bi1 Ir1'
_cell_volume   95.0
_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  0.0  0.0  0.9  1.0
  Hf  Hf2  1  0.0  0.0  0.5  1.0
  Bi  Bi0  1  0.0  0.0  0.2  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

data_Hf2BiIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.96
_cell_length_b   4.02
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   108.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2BiIr
_chemical_formula_sum   'Hf4 Bi2 Ir2'
_cell_volume   190.0
_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
  Hf  Hf0  2  0.0  0.0  0.1  1.0
  Hf  Hf1  2  0.0  0.0  0.5  1.0
  Bi  Bi2  2  0.0  0.0  0.8  1.0
  Ir  Ir3  2  0.0  0.0  0.0  1.0

Hf Hf Bi Ir