data_CaSn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Pb
_chemical_formula_sum   'Ca1 Sn2 Pb1'
_cell_volume   113.24
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.42  0.0  0.43  1.0
  Sn  Sn3  1  0.0  0.42  0.43  1.0
  Pb  Pb1  1  0.42  0.42  0.0  1.0

data_CaSn2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaSn2Pb
_chemical_formula_sum   'Ca2 Sn4 Pb2'
_cell_volume   226.48
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  4  0.21  0.21  0.43  1.0
  Pb  Pb2  2  0.42  0.0  0.0  1.0

Ca Sn Sn Pb
PbSn2Ca crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 9-coordinate geometry to three equivalent Pb(1) and six equivalent Sn(1) atoms. There is one shorter (2.84 Å) and two longer (3.46 Å) Ca(1)-Pb(1) bond lengths. There are a spread of Ca(1)-Sn(1) bond distances ranging from 2.88-3.50 Å. Pb(1) is bonded in a 1-coordinate geometry to three equivalent Ca(1) and six equivalent Sn(1) atoms. There are a spread of Pb(1)-Sn(1) bond distances ranging from 2.88-3.50 Å. Sn(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Pb(1), and one Sn(1) atom. The Sn(1)-Sn(1) bond length is 2.84 Å.