data_LaYTaNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYTaNb
_chemical_formula_sum   'La1 Y1 Ta1 Nb1'
_cell_volume   94.49
_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  0.81  0.81  0.81  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.62  0.62  0.62  1.0
  Nb  Nb1  1  0.42  0.42  0.42  1.0

data_LaYTaNb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaYTaNb
_chemical_formula_sum   'La3 Y3 Ta3 Nb3'
_cell_volume   283.47
_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  0.19  1.0
  Y  Y1  3  0.0  0.0  0.0  1.0
  Ta  Ta2  3  0.0  0.0  0.38  1.0
  Nb  Nb3  3  0.0  0.0  0.58  1.0

La Y Ta Nb
La Y Ta Nb 0 2 o o o 0 1 + + + 0 3 + o o 0 3 o + o 0 3 o o + 1 2 - - o 1 2 - o - 1 2 o - - 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o o o 
LaYTaNb crystallizes in the trigonal R3m space group. La(1) is bonded in a 5-coordinate geometry to one Y(1), one Ta(1), and three equivalent Nb(1) atoms. The La(1)-Y(1) bond length is 2.41 Å. The La(1)-Ta(1) bond length is 2.41 Å. All La(1)-Nb(1) bond lengths are 3.02 Å. Y(1) is bonded in a 7-coordinate geometry to one La(1), three equivalent Ta(1), and three equivalent Nb(1) atoms. All Y(1)-Ta(1) bond lengths are 3.02 Å. All Y(1)-Nb(1) bond lengths are 3.16 Å. Ta(1) is bonded in a 5-coordinate geometry to one La(1), three equivalent Y(1), and one Nb(1) atom. The Ta(1)-Nb(1) bond length is 2.41 Å. Nb(1) is bonded in a 7-coordinate geometry to three equivalent La(1), three equivalent Y(1), and one Ta(1) atom.