data_YMnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnW
_chemical_formula_sum   'Y1 Mn1 W1'
_cell_volume   64.29
_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  0.18  0.18  0.18  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.59  0.59  0.59  1.0

data_YMnW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YMnW
_chemical_formula_sum   'Y3 Mn3 W3'
_cell_volume   192.87
_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  0.82  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  W  W2  3  0.0  0.0  0.41  1.0

Y Mn W
YWMn crystallizes in the trigonal R3m space group. Y(1) is bonded to three equivalent W(1) and one Mn(1) atom to form distorted YMnW3 tetrahedra that share corners with three equivalent Mn(1)YW3 tetrahedra, corners with six equivalent Y(1)MnW3 tetrahedra, and edges with three equivalent Mn(1)YW3 tetrahedra. All Y(1)-W(1) bond lengths are 2.73 Å. The Y(1)-Mn(1) bond length is 1.98 Å. W(1) is bonded in a 6-coordinate geometry to three equivalent Y(1) and three equivalent Mn(1) atoms. All W(1)-Mn(1) bond lengths are 2.73 Å. Mn(1) is bonded to one Y(1) and three equivalent W(1) atoms to form distorted MnYW3 tetrahedra that share corners with three equivalent Y(1)MnW3 tetrahedra, corners with six equivalent Mn(1)YW3 tetrahedra, and edges with three equivalent Y(1)MnW3 tetrahedra.