data_Hf2InPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   3.21
_cell_angle_alpha   104.41
_cell_angle_beta   104.41
_cell_angle_gamma   116.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InPb
_chemical_formula_sum   'Hf2 In1 Pb1'
_cell_volume   94.14
_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  0.85  0.42  0.42  1.0
  Hf  Hf1  1  0.85  0.58  0.42  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.22  0.0  0.0  1.0

data_Hf2InPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.68
_cell_length_c   6.08
_cell_angle_alpha   117.25
_cell_angle_beta   104.41
_cell_angle_gamma   91.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InPb
_chemical_formula_sum   'Hf2 In1 Pb1'
_cell_volume   94.14
_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  0.84  0.42  0.27  1.0
  Hf  Hf1  1  1.0  0.58  0.43  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.22  1.0

Hf Hf In Pb
Hf Hf In Pb 0 1 o o o 2 3 o o o 