data_Cr2Pb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   6.76
_cell_length_c   9.11
_cell_angle_alpha   50.98
_cell_angle_beta   47.3
_cell_angle_gamma   81.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Pb3
_chemical_formula_sum   'Cr4 Pb6'
_cell_volume   218.57
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.58  0.86  0.83  1.0
  Cr  Cr1  1  0.65  0.79  0.83  1.0
  Cr  Cr2  1  0.77  0.54  0.15  1.0
  Cr  Cr3  1  0.69  0.76  0.15  1.0
  Pb  Pb4  1  0.61  0.95  0.13  1.0
  Pb  Pb5  1  0.85  0.35  0.13  1.0
  Pb  Pb6  1  0.73  0.63  0.45  1.0
  Pb  Pb7  1  0.73  0.67  0.45  1.0
  Pb  Pb8  1  0.11  0.32  1.0  1.0
  Pb  Pb9  1  0.23  0.65  0.68  1.0

data_Cr2Pb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.28
_cell_length_b   6.76
_cell_length_c   7.15
_cell_angle_alpha   81.72
_cell_angle_beta   68.34
_cell_angle_gamma   67.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Pb3
_chemical_formula_sum   'Cr4 Pb6'
_cell_volume   218.57
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.23  0.31  0.92  1.0
  Cr  Cr1  1  0.31  0.09  0.84  1.0
  Cr  Cr2  1  0.35  0.38  0.48  1.0
  Cr  Cr3  1  0.42  0.31  0.41  1.0
  Pb  Pb4  1  0.15  0.52  0.98  1.0
  Pb  Pb5  1  0.27  0.92  0.18  1.0
  Pb  Pb6  1  0.27  0.88  0.18  1.0
  Pb  Pb7  1  0.39  0.92  0.74  1.0
  Pb  Pb8  1  0.77  0.67  0.91  1.0
  Pb  Pb9  1  0.89  0.68  0.11  1.0

Cr Cr Cr Cr Pb Pb Pb Pb Pb Pb
Cr Cr Cr Cr Pb Pb Pb Pb Pb Pb 0 1 o o o 2 3 o o o 2 5 o o o 3 4 o o o 5 8 + o - 5 9 + o - 6 7 o o o 8 9 o o o 