data_YMgCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgCo
_chemical_formula_sum   'Y1 Mg1 Co1'
_cell_volume   65.56
_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  0.2  0.2  0.2  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.6  0.6  0.6  1.0

data_YMgCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YMgCo
_chemical_formula_sum   'Y3 Mg3 Co3'
_cell_volume   196.69
_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  0.8  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Co  Co2  3  0.0  0.0  0.4  1.0

Y Mg Co
Y Mg Co 0 1 o o o 0 2 - o o 0 2 o - o 0 2 o o - 1 2 - - o 1 2 - o - 1 2 o - - 
MgYCo crystallizes in the trigonal R3m space group. Mg(1) is bonded to one Y(1) and three equivalent Co(1) atoms to form distorted MgYCo3 tetrahedra that share corners with three equivalent Y(1)MgCo3 tetrahedra, corners with six equivalent Mg(1)YCo3 tetrahedra, and edges with three equivalent Y(1)MgCo3 tetrahedra. The Mg(1)-Y(1) bond length is 2.22 Å. All Mg(1)-Co(1) bond lengths are 2.71 Å. Y(1) is bonded to one Mg(1) and three equivalent Co(1) atoms to form distorted YMgCo3 tetrahedra that share corners with three equivalent Mg(1)YCo3 tetrahedra, corners with six equivalent Y(1)MgCo3 tetrahedra, and edges with three equivalent Mg(1)YCo3 tetrahedra. All Y(1)-Co(1) bond lengths are 2.71 Å. Co(1) is bonded in a distorted hexagonal planar geometry to three equivalent Mg(1) and three equivalent Y(1) atoms.