data_LaMnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnRe2
_chemical_formula_sum   'La1 Mn1 Re2'
_cell_volume   67.27
_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  0.23  0.23  0.23  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.84  0.84  0.84  1.0
  Re  Re3  1  0.61  0.61  0.61  1.0

data_LaMnRe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   11.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaMnRe2
_chemical_formula_sum   'La3 Mn3 Re6'
_cell_volume   201.8
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.77  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Re  Re2  3  0.0  0.0  0.16  1.0
  Re  Re3  3  0.0  0.0  0.39  1.0

La Mn Re Re
LaRe2Mn crystallizes in the trigonal R3m space group. La(1) is bonded in a 10-coordinate geometry to three equivalent Re(1), three equivalent Re(2), and four equivalent Mn(1) atoms. All La(1)-Re(1) bond lengths are 2.70 Å. All La(1)-Re(2) bond lengths are 2.70 Å. There is one shorter (2.55 Å) and three longer (2.89 Å) La(1)-Mn(1) bond lengths. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to three equivalent La(1), one Re(2), and one Mn(1) atom. The Re(1)-Re(2) bond length is 2.55 Å. The Re(1)-Mn(1) bond length is 1.77 Å. In the second Re site, Re(2) is bonded in a 7-coordinate geometry to three equivalent La(1), one Re(1), and three equivalent Mn(1) atoms. All Re(2)-Mn(1) bond lengths are 2.70 Å. Mn(1) is bonded in a distorted single-bond geometry to four equivalent La(1), one Re(1), and three equivalent Re(2) atoms.