data_AlCr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2Pb
_chemical_formula_sum   'Al1 Cr2 Pb1'
_cell_volume   70.12
_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  0.5  0.91  0.53  1.0
  Cr  Cr2  1  0.5  0.09  0.53  1.0
  Pb  Pb3  1  0.0  0.0  0.0  1.0

data_AlCr2Pb
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.85
_cell_length_b   3.06
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   103.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   AlCr2Pb
_chemical_formula_sum   'Al1 Cr2 Pb1'
_cell_volume   70.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.47  0.09  1.0
  Pb  Pb2  1  0.0  0.0  0.0  1.0

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