data_LaRe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   2.92
_cell_angle_alpha   103.77
_cell_angle_beta   103.77
_cell_angle_gamma   124.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2P
_chemical_formula_sum   'La1 Re2 P1'
_cell_volume   74.13
_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  0.78  0.0  0.0  1.0
  Re  Re2  1  0.64  0.65  0.26  1.0
  Re  Re3  1  0.64  0.35  0.26  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_LaRe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.79
_cell_length_c   5.99
_cell_angle_alpha   113.32
_cell_angle_beta   103.77
_cell_angle_gamma   90.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2P
_chemical_formula_sum   'La1 Re2 P1'
_cell_volume   74.13
_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  0.78  1.0
  Re  Re1  1  0.61  0.35  0.99  1.0
  Re  Re2  1  0.91  0.65  0.29  1.0
  P  P3  1  0.0  0.0  0.0  1.0

La Re Re P
La Re Re P 0 3 + o o 0 1 o - o 0 1 o - - 1 2 o o o 1 3 + + + 
LaRe2P crystallizes in the triclinic P1 space group. La(1) is bonded in a distorted single-bond geometry to one Re(2), two equivalent Re(1), and one P(1) atom. The La(1)-Re(2) bond length is 2.68 Å. There is one shorter (2.17 Å) and one longer (2.19 Å) La(1)-Re(1) bond length. The La(1)-P(1) bond length is 1.29 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 5-coordinate geometry to two equivalent La(1), one Re(2), and two equivalent P(1) atoms. The Re(1)-Re(2) bond length is 1.79 Å. There is one shorter (2.05 Å) and one longer (2.43 Å) Re(1)-P(1) bond length. In the second Re site, Re(2) is bonded in a 3-coordinate geometry to one La(1), one Re(1), and one P(1) atom. The Re(2)-P(1) bond length is 2.92 Å. P(1) is bonded in a distorted single-bond geometry to one La(1), one Re(2), and two equivalent Re(1) atoms.