data_LaTiCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiCu2
_chemical_formula_sum   'La1 Ti1 Cu2'
_cell_volume   76.16
_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
  La  La2  1  0.22  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.61  0.8  0.64  1.0
  Cu  Cu1  1  0.61  0.2  0.64  1.0

data_LaTiCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   96.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiCu2
_chemical_formula_sum   'La1 Ti1 Cu2'
_cell_volume   76.16
_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
  La  La0  1  0.0  0.22  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.64  0.61  0.2  1.0
  Cu  Cu3  1  0.64  0.61  0.8  1.0

La Ti Cu Cu
LaTiCu2 crystallizes in the triclinic P1 space group. La(1) is bonded in a 1-coordinate geometry to one Ti(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. The La(1)-Ti(1) bond length is 1.07 Å. There is one shorter (2.50 Å) and one longer (3.04 Å) La(1)-Cu(1) bond length. There is one shorter (2.33 Å) and one longer (2.90 Å) La(1)-Cu(2) bond length. Ti(1) is bonded in a distorted single-bond geometry to one La(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. There is one shorter (2.33 Å) and one longer (2.90 Å) Ti(1)-Cu(1) bond length. There is one shorter (2.50 Å) and one longer (3.04 Å) Ti(1)-Cu(2) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent Ti(1), and two equivalent Cu(2) atoms. There is one shorter (1.90 Å) and one longer (2.94 Å) Cu(1)-Cu(2) bond length. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent Ti(1), and two equivalent Cu(1) atoms.