data_LaCu2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2Ru
_chemical_formula_sum   'La1 Cu2 Ru1'
_cell_volume   71.1
_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  La2  1  0.29  0.29  0.29  1.0
  Cu  Cu0  1  0.93  0.93  0.93  1.0
  Cu  Cu1  1  0.64  0.64  0.64  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_LaCu2Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaCu2Ru
_chemical_formula_sum   'La3 Cu6 Ru3'
_cell_volume   213.31
_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  0.71  1.0
  Cu  Cu1  3  0.0  0.0  0.07  1.0
  Cu  Cu2  3  0.0  0.0  0.36  1.0
  Ru  Ru3  3  0.0  0.0  0.0  1.0

La Cu Cu Ru
LaRuCu2 crystallizes in the trigonal R3m space group. La(1) is bonded in a 10-coordinate geometry to four equivalent Ru(1), three equivalent Cu(1), and three equivalent Cu(2) atoms. There are three shorter (2.73 Å) and one longer (3.28 Å) La(1)-Ru(1) bond length. All La(1)-Cu(1) bond lengths are 2.70 Å. All La(1)-Cu(2) bond lengths are 2.70 Å. Ru(1) is bonded in a single-bond geometry to four equivalent La(1), one Cu(1), and three equivalent Cu(2) atoms. The Ru(1)-Cu(1) bond length is 0.77 Å. All Ru(1)-Cu(2) bond lengths are 2.70 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to three equivalent La(1) and one Ru(1) atom. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent Ru(1) atoms.