data_CaGaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaPb
_chemical_formula_sum   'Ca1 Ga1 Pb1'
_cell_volume   82.74
_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  0.13  1.0
  Ga  Ga1  1  0.0  0.71  0.62  1.0
  Pb  Pb2  1  0.34  0.35  0.6  1.0

data_CaGaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaPb
_chemical_formula_sum   'Ca1 Ga1 Pb1'
_cell_volume   82.74
_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  0.13  0.0  0.0  1.0
  Ga  Ga1  1  0.62  0.0  0.71  1.0
  Pb  Pb2  1  0.6  0.34  0.35  1.0

Ca Ga Pb
Ca Ga Pb 0 1 o - - 0 1 o - o 0 2 o o - 0 2 o o o 1 2 - o o 1 2 o o o 1 2 o + o 
CaGaPb crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 4-coordinate geometry to two equivalent Ga(1) and two equivalent Pb(1) atoms. There is one shorter (2.51 Å) and one longer (2.63 Å) Ca(1)-Ga(1) bond length. There is one shorter (2.62 Å) and one longer (2.82 Å) Ca(1)-Pb(1) bond length. Ga(1) is bonded to two equivalent Ca(1) and three equivalent Pb(1) atoms to form distorted corner-sharing GaCa2Pb3 trigonal bipyramids. There are a spread of Ga(1)-Pb(1) bond distances ranging from 2.63-2.83 Å. Pb(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1) and three equivalent Ga(1) atoms.