data_LaTi2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   146.43
_cell_angle_beta   130.89
_cell_angle_gamma   60.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2Re
_chemical_formula_sum   'La1 Ti2 Re1'
_cell_volume   79.47
_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  0.0  0.18  1.0
  Ti  Ti2  1  0.0  0.0  0.54  1.0
  Ti  Ti3  1  0.67  0.0  0.51  1.0
  Re  Re1  1  0.0  0.4  0.67  1.0

data_LaTi2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.79
_cell_length_c   5.77
_cell_angle_alpha   114.56
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2Re
_chemical_formula_sum   'La1 Ti2 Re1'
_cell_volume   79.47
_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  0.82  0.82  0.82  1.0
  Ti  Ti1  1  0.15  0.49  0.15  1.0
  Ti  Ti2  1  0.46  0.46  0.46  1.0
  Re  Re3  1  0.33  0.73  0.73  1.0

La Ti Ti Re
LaTi2Re crystallizes in the triclinic P1 space group. La(1) is bonded in a 2-coordinate geometry to one Ti(1), two equivalent Ti(2), and two equivalent Re(1) atoms. The La(1)-Ti(1) bond length is 2.10 Å. Both La(1)-Ti(2) bond lengths are 2.96 Å. There is one shorter (1.58 Å) and one longer (1.92 Å) La(1)-Re(1) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to one La(1), one Ti(2), and one Re(1) atom. The Ti(1)-Ti(2) bond length is 1.82 Å. The Ti(1)-Re(1) bond length is 1.72 Å. In the second Ti site, Ti(2) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Ti(1) atom. Re(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Ti(1) atom.