data_Al2CrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.58
_cell_angle_alpha   97.5
_cell_angle_beta   97.5
_cell_angle_gamma   36.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrPb
_chemical_formula_sum   'Al2 Cr1 Pb1'
_cell_volume   74.81
_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
  Al  Al0  1  0.09  0.0  0.35  1.0
  Al  Al1  1  0.7  0.0  0.52  1.0
  Cr  Cr2  1  0.14  0.0  0.36  1.0
  Pb  Pb3  1  0.59  0.0  0.06  1.0

data_Al2CrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.79
_cell_length_c   5.58
_cell_angle_alpha   97.5
_cell_angle_beta   90.0
_cell_angle_gamma   108.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrPb
_chemical_formula_sum   'Al2 Cr1 Pb1'
_cell_volume   74.81
_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
  Al  Al0  1  0.0  0.3  0.48  1.0
  Al  Al1  1  0.0  0.91  0.65  1.0
  Cr  Cr2  1  0.0  0.86  0.64  1.0
  Pb  Pb3  1  0.0  0.41  0.94  1.0

Al Al Cr Pb
Al Al Cr Pb 0 2 o o o 0 1 - o o 0 3 o o o 0 3 - o o 1 3 o o o 1 3 o o + 1 2 o o o 1 2 + o o 2 3 o o o 2 3 - o o 3 3 + - o 