data_Gd2YAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2YAs
_chemical_formula_sum   'Gd2 Y1 As1'
_cell_volume   105.05
_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
  Gd  Gd1  1  0.62  0.62  0.62  1.0
  Gd  Gd2  1  0.87  0.87  0.87  1.0
  Y  Y3  1  0.74  0.74  0.74  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Gd2YAs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   12.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Gd2YAs
_chemical_formula_sum   'Gd6 Y3 As3'
_cell_volume   315.14
_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
  Gd  Gd0  3  0.0  0.0  0.13  1.0
  Gd  Gd1  3  0.0  0.0  0.38  1.0
  Y  Y2  3  0.0  0.0  0.26  1.0
  As  As3  3  0.0  0.0  0.0  1.0

Gd Gd Y As
Gd2YAs crystallizes in the trigonal R3m space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a distorted single-bond geometry to one Y(1) atom. The Gd(1)-Y(1) bond length is 1.65 Å. In the second Gd site, Gd(2) is bonded in a distorted single-bond geometry to one Y(1) and one As(1) atom. The Gd(2)-Y(1) bond length is 1.65 Å. The Gd(2)-As(1) bond length is 1.65 Å. Y(1) is bonded in a distorted linear geometry to one Gd(1), one Gd(2), and three equivalent As(1) atoms. All Y(1)-As(1) bond lengths are 3.22 Å. As(1) is bonded in a single-bond geometry to one Gd(2) and three equivalent Y(1) atoms.