data_LaZrCoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrCoRu
_chemical_formula_sum   'La1 Zr1 Co1 Ru1'
_cell_volume   72.52
_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  0.96  0.96  0.96  1.0
  Zr  Zr3  1  0.31  0.31  0.31  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.65  0.65  0.65  1.0

data_LaZrCoRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   11.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaZrCoRu
_chemical_formula_sum   'La3 Zr3 Co3 Ru3'
_cell_volume   217.56
_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  0.04  1.0
  Zr  Zr1  3  0.0  0.0  0.69  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Ru  Ru3  3  0.0  0.0  0.35  1.0

La Zr Co Ru
LaZrRuCo crystallizes in the trigonal R3m space group. La(1) is bonded in a single-bond geometry to four equivalent Ru(1) and one Co(1) atom. There are three shorter (2.72 Å) and one longer (3.55 Å) La(1)-Ru(1) bond length. The La(1)-Co(1) bond length is 0.40 Å. Zr(1) is bonded in a 3-coordinate geometry to three equivalent Ru(1) atoms. All Zr(1)-Ru(1) bond lengths are 2.71 Å. Ru(1) is bonded in a 10-coordinate geometry to four equivalent La(1), three equivalent Zr(1), and three equivalent Co(1) atoms. All Ru(1)-Co(1) bond lengths are 2.71 Å. Co(1) is bonded in a single-bond geometry to one La(1) and three equivalent Ru(1) atoms.