data_AlCr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   137.12
_cell_angle_beta   137.12
_cell_angle_gamma   62.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Pb
_chemical_formula_sum   'Al1 Cr2 Pb1'
_cell_volume   69.94
_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  0.0  0.0  1.0
  Cr  Cr1  1  0.95  0.0  0.29  1.0
  Cr  Cr2  1  0.0  0.0  0.58  1.0
  Pb  Pb3  1  0.0  0.95  0.29  1.0

data_AlCr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.35
_cell_angle_alpha   111.44
_cell_angle_beta   111.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Pb
_chemical_formula_sum   'Al1 Cr2 Pb1'
_cell_volume   69.94
_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  0.0  0.0  1.0
  Cr  Cr1  1  0.29  0.33  0.33  1.0
  Cr  Cr2  1  0.58  0.58  0.58  1.0
  Pb  Pb3  1  0.33  0.29  0.33  1.0

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