data_Cr2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PPb
_chemical_formula_sum   'Cr2 P1 Pb1'
_cell_volume   63.55
_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  0.5  0.5  0.79  1.0
  Cr  Cr1  1  0.5  0.5  0.27  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.53  1.0

data_Cr2PPb
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Cr2PPb
_chemical_formula_sum   'Cr2 P1 Pb1'
_cell_volume   63.55
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.5  0.5  0.27  1.0
  Cr  Cr1  1  0.5  0.5  0.79  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.53  1.0

Cr Cr P Pb
Cr Cr P Pb 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o o + 0 2 o + + 0 2 + o + 0 2 + + + 0 0 + o o 0 0 o + o 0 1 o o + 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 2 2 + o o 2 2 o + o 2 3 o o - 3 3 + o o 3 3 o + o 
Cr2PbP is beta-prime cadmium gold-derived structured and crystallizes in the tetragonal P4mm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a body-centered cubic geometry to four equivalent Pb(1) and four equivalent P(1) atoms. All Cr(1)-Pb(1) bond lengths are 2.82 Å. All Cr(1)-P(1) bond lengths are 2.57 Å. In the second Cr site, Cr(2) is bonded in a distorted body-centered cubic geometry to four equivalent Pb(1) and four equivalent P(1) atoms. All Cr(2)-Pb(1) bond lengths are 2.82 Å. All Cr(2)-P(1) bond lengths are 2.84 Å. Pb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Cr(1) and four equivalent Cr(2) atoms. P(1) is bonded in a body-centered cubic geometry to four equivalent Cr(1) and four equivalent Cr(2) atoms.