data_LaTiRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiRe2
_chemical_formula_sum   'La1 Ti1 Re2'
_cell_volume   71.99
_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  0.71  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.59  0.0  0.36  1.0
  Re  Re2  1  0.59  0.0  0.06  1.0

data_LaTiRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiRe2
_chemical_formula_sum   'La1 Ti1 Re2'
_cell_volume   71.99
_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  0.71  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.59  0.0  0.06  1.0
  Re  Re3  1  0.59  0.0  0.36  1.0

La Ti Re Re
LaTiRe2 crystallizes in the triclinic P1 space group. La(1) is bonded in a 1-coordinate geometry to one Ti(1) and two equivalent Re(1) atoms. The La(1)-Ti(1) bond length is 2.75 Å. There is one shorter (3.52 Å) and one longer (3.72 Å) La(1)-Re(1) bond length. Ti(1) is bonded in a 2-coordinate geometry to one La(1) and two equivalent Re(2) atoms. There is one shorter (1.32 Å) and one longer (1.78 Å) Ti(1)-Re(2) bond length. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 9-coordinate geometry to two equivalent La(1), one Re(2), and six equivalent Re(1) atoms. The Re(1)-Re(2) bond length is 2.80 Å. There are four shorter (2.89 Å) and two longer (3.17 Å) Re(1)-Re(1) bond lengths. In the second Re site, Re(2) is bonded in a 2-coordinate geometry to two equivalent Ti(1) and one Re(1) atom.