data_LaAsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAsRu
_chemical_formula_sum   'La1 As1 Ru1'
_cell_volume   77.11
_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  0.07  0.07  0.07  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.38  0.38  0.38  1.0

data_LaAsRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   11.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaAsRu
_chemical_formula_sum   'La3 As3 Ru3'
_cell_volume   231.32
_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  0.93  1.0
  As  As1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.62  1.0

La As Ru
La As Ru 0 1 o o o 0 2 o o - 0 2 o - o 0 2 - o o 1 2 o o - 1 2 o - o 1 2 - o o 
LaRuAs crystallizes in the trigonal R3m space group. La(1) is bonded in a single-bond geometry to four equivalent Ru(1) and one As(1) atom. There are three shorter (2.77 Å) and one longer (3.64 Å) La(1)-Ru(1) bond length. The La(1)-As(1) bond length is 0.79 Å. Ru(1) is bonded to four equivalent La(1) and three equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing RuLa4As3 hexagonal pyramids. All Ru(1)-As(1) bond lengths are 2.81 Å. As(1) is bonded in a single-bond geometry to one La(1) and three equivalent Ru(1) atoms.