data_LaCoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoRe
_chemical_formula_sum   'La1 Co1 Re1'
_cell_volume   63.4
_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  La1  1  0.58  0.58  0.58  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.16  0.16  0.16  1.0

data_LaCoRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   10.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaCoRe
_chemical_formula_sum   'La3 Co3 Re3'
_cell_volume   190.19
_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  0.42  1.0
  Co  Co1  3  0.0  0.0  -0.0  1.0
  Re  Re2  3  0.0  0.0  0.84  1.0

La Co Re
La Co Re 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o + + 0 1 + o + 0 1 + + o 1 2 o o o 
LaReCo crystallizes in the trigonal R3m space group. La(1) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent Co(1) atoms. All La(1)-Re(1) bond lengths are 2.74 Å. All La(1)-Co(1) bond lengths are 2.74 Å. Re(1) is bonded to three equivalent La(1) and one Co(1) atom to form ReLa3Co tetrahedra that share corners with three equivalent Co(1)La3Re tetrahedra, corners with six equivalent Re(1)La3Co tetrahedra, and edges with three equivalent Co(1)La3Re tetrahedra. The Re(1)-Co(1) bond length is 1.81 Å. Co(1) is bonded to three equivalent La(1) and one Re(1) atom to form CoLa3Re tetrahedra that share corners with three equivalent Re(1)La3Co tetrahedra, corners with six equivalent Co(1)La3Re tetrahedra, and edges with three equivalent Re(1)La3Co tetrahedra.