data_YMnNb
_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   YMnNb
_chemical_formula_sum   'Y1 Mn1 Nb1'
_cell_volume   63.44
_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
  Y  Y2  1  0.58  0.58  0.58  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.17  0.17  0.17  1.0

data_YMnNb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   10.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YMnNb
_chemical_formula_sum   'Y3 Mn3 Nb3'
_cell_volume   190.32
_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
  Y  Y0  3  0.0  0.0  0.42  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Nb  Nb2  3  0.0  0.0  0.83  1.0

Y Mn Nb
YNbMn crystallizes in the trigonal R3m space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent Nb(1) and three equivalent Mn(1) atoms. All Y(1)-Nb(1) bond lengths are 2.74 Å. All Y(1)-Mn(1) bond lengths are 2.74 Å. Nb(1) is bonded to three equivalent Y(1) and one Mn(1) atom to form distorted NbY3Mn tetrahedra that share corners with three equivalent Mn(1)Y3Nb tetrahedra, corners with six equivalent Nb(1)Y3Mn tetrahedra, and edges with three equivalent Mn(1)Y3Nb tetrahedra. The Nb(1)-Mn(1) bond length is 1.81 Å. Mn(1) is bonded to three equivalent Y(1) and one Nb(1) atom to form distorted MnY3Nb tetrahedra that share corners with three equivalent Nb(1)Y3Mn tetrahedra, corners with six equivalent Mn(1)Y3Nb tetrahedra, and edges with three equivalent Nb(1)Y3Mn tetrahedra.