data_CaLa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa2Cu
_chemical_formula_sum   'Ca1 La2 Cu1'
_cell_volume   122.31
_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
  La  La2  1  0.48  0.0  0.48  1.0
  La  La3  1  0.0  0.48  0.48  1.0
  Cu  Cu1  1  0.48  0.48  0.0  1.0

data_CaLa2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaLa2Cu
_chemical_formula_sum   'Ca2 La4 Cu2'
_cell_volume   244.61
_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
  La  La1  4  0.24  0.24  0.48  1.0
  Cu  Cu2  2  0.48  0.0  -0.0  1.0

Ca La La Cu
CaLa2Cu is beta Cu3Ti-derived structured and crystallizes in the monoclinic Cm space group. Ca(1) is bonded to eight equivalent La(1) and four equivalent Cu(1) atoms to form distorted CaLa8Cu4 cuboctahedra that share corners with twelve equivalent Ca(1)La8Cu4 cuboctahedra, edges with eight equivalent Cu(1)Ca4La8 cuboctahedra, faces with four equivalent Cu(1)Ca4La8 cuboctahedra, and faces with six equivalent Ca(1)La8Cu4 cuboctahedra. There are a spread of Ca(1)-La(1) bond distances ranging from 3.38-3.64 Å. There are a spread of Ca(1)-Cu(1) bond distances ranging from 3.39-3.63 Å. La(1) is bonded in a 12-coordinate geometry to four equivalent Ca(1), four equivalent La(1), and four equivalent Cu(1) atoms. There are a spread of La(1)-La(1) bond distances ranging from 3.39-3.63 Å. There are a spread of La(1)-Cu(1) bond distances ranging from 3.38-3.64 Å. Cu(1) is bonded to four equivalent Ca(1) and eight equivalent La(1) atoms to form CuCa4La8 cuboctahedra that share corners with twelve equivalent Cu(1)Ca4La8 cuboctahedra, edges with eight equivalent Ca(1)La8Cu4 cuboctahedra, faces with four equivalent Ca(1)La8Cu4 cuboctahedra, and faces with six equivalent Cu(1)Ca4La8 cuboctahedra.