data_Hf2CrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.45
_cell_angle_alpha   96.69
_cell_angle_beta   96.69
_cell_angle_gamma   34.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrPb
_chemical_formula_sum   'Hf2 Cr1 Pb1'
_cell_volume   85.48
_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  0.99  0.0  0.13  1.0
  Hf  Hf2  1  0.42  0.0  0.28  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.7  0.0  0.7  1.0

data_Hf2CrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.27
_cell_length_c   5.45
_cell_angle_alpha   96.69
_cell_angle_beta   90.0
_cell_angle_gamma   107.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrPb
_chemical_formula_sum   'Hf2 Cr1 Pb1'
_cell_volume   85.48
_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  0.01  0.87  1.0
  Hf  Hf1  1  0.0  0.58  0.72  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.3  0.3  1.0

Hf Hf Cr Pb