data_Ca2LaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   4.85
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   94.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2LaPb
_chemical_formula_sum   'Ca2 La1 Pb1'
_cell_volume   141.67
_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  0.19  0.0  0.28  1.0
  Ca  Ca1  1  0.82  0.42  0.85  1.0
  La  La2  1  0.9  0.0  0.9  1.0
  Pb  Pb3  1  0.62  0.42  0.5  1.0

data_Ca2LaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.85
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   94.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2LaPb
_chemical_formula_sum   'Ca2 La1 Pb1'
_cell_volume   141.67
_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  0.19  0.0  0.28  1.0
  Ca  Ca1  1  0.82  0.42  0.85  1.0
  La  La2  1  0.9  0.0  0.9  1.0
  Pb  Pb3  1  0.62  0.42  0.5  1.0

Ca Ca La Pb
Ca2LaPb crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to one La(1) and three equivalent Pb(1) atoms. The Ca(1)-La(1) bond length is 2.97 Å. There are a spread of Ca(1)-Pb(1) bond distances ranging from 3.06-3.60 Å. In the second Ca site, Ca(2) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Pb(1) atom. There is one shorter (2.10 Å) and one longer (2.84 Å) Ca(2)-La(1) bond length. The Ca(2)-Pb(1) bond length is 2.63 Å. La(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ca(2) atoms. Pb(1) is bonded in a 4-coordinate geometry to one Ca(2) and three equivalent Ca(1) atoms.