data_CrPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   132.62
_cell_angle_beta   132.62
_cell_angle_gamma   69.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPb2
_chemical_formula_sum   'Cr1 P1 Pb2'
_cell_volume   87.08
_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
  Cr  Cr0  1  0.0  0.0  0.5  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.2  0.0  0.25  1.0
  Pb  Pb3  1  0.0  0.2  0.25  1.0

data_CrPPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   124.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrPPb2
_chemical_formula_sum   'Cr2 P2 Pb4'
_cell_volume   174.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.5  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  4  0.4  0.4  0.05  1.0

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