data_YMg2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2In
_chemical_formula_sum   'Y1 Mg2 In1'
_cell_volume   97.19
_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  Y3  1  0.65  0.65  0.65  1.0
  Mg  Mg1  1  0.47  0.47  0.47  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.82  0.82  0.82  1.0

data_YMg2In
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YMg2In
_chemical_formula_sum   'Y3 Mg6 In3'
_cell_volume   291.56
_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  0.35  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Mg  Mg2  3  0.0  0.0  0.53  1.0
  In  In3  3  0.0  0.0  0.18  1.0

Y Mg Mg In
Mg2YIn crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Y(1) and three equivalent In(1) atoms to form distorted MgYIn3 trigonal pyramids that share  a cornercorner with one In(1)YMg4 trigonal bipyramid and corners with six equivalent Mg(1)YIn3 trigonal pyramids. The Mg(1)-Y(1) bond length is 2.22 Å. All Mg(1)-In(1) bond lengths are 2.99 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one In(1) atom. The Mg(2)-In(1) bond length is 2.22 Å. Y(1) is bonded in a 2-coordinate geometry to one Mg(1) and one In(1) atom. The Y(1)-In(1) bond length is 2.22 Å. In(1) is bonded to one Mg(2), three equivalent Mg(1), and one Y(1) atom to form distorted InYMg4 trigonal bipyramids that share corners with six equivalent In(1)YMg4 trigonal bipyramids and  a cornercorner with one Mg(1)YIn3 trigonal pyramid.