data_Hf2CoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CoPb
_chemical_formula_sum   'Hf2 Co1 Pb1'
_cell_volume   76.33
_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  0.14  0.09  1.0
  Hf  Hf2  1  0.14  0.0  0.09  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.14  0.14  0.0  1.0

data_Hf2CoPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2CoPb
_chemical_formula_sum   'Hf4 Co2 Pb2'
_cell_volume   152.65
_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  4  0.07  0.07  0.09  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.14  0.0  0.0  1.0

Hf Hf Co Pb
Hf Hf Co Pb 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 