data_CrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   4.63
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPb
_chemical_formula_sum   'Cr4 Pb4'
_cell_volume   152.48
_cell_formula_units_Z   4
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  0.17  0.47  0.31  1.0
  Cr  Cr1  1  0.94  0.16  0.66  1.0
  Cr  Cr2  1  0.29  0.47  0.63  1.0
  Cr  Cr3  1  0.06  0.16  0.98  1.0
  Pb  Pb4  1  0.36  0.47  0.59  1.0
  Pb  Pb5  1  0.75  0.16  0.24  1.0
  Pb  Pb6  1  0.48  0.47  0.05  1.0
  Pb  Pb7  1  0.87  0.16  0.7  1.0

data_CrPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.63
_cell_length_b   5.29
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrPb
_chemical_formula_sum   'Cr4 Pb4'
_cell_volume   152.48
_cell_formula_units_Z   4
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
  Cr  Cr0  2  0.16  0.16  0.06  1.0
  Cr  Cr1  2  0.16  0.48  0.17  1.0
  Pb  Pb2  2  0.16  0.45  0.25  1.0
  Pb  Pb3  2  0.16  0.91  0.36  1.0

Cr Cr Cr Cr Pb Pb Pb Pb