data_CaAgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgW
_chemical_formula_sum   'Ca1 Ag1 W1'
_cell_volume   77.19
_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
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.69  0.69  0.69  1.0
  W  W2  1  0.38  0.38  0.38  1.0

data_CaAgW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   11.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaAgW
_chemical_formula_sum   'Ca3 Ag3 W3'
_cell_volume   231.56
_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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  Ag  Ag1  3  0.0  0.0  0.31  1.0
  W  W2  3  0.0  0.0  0.62  1.0

Ca Ag W
CaWAg is half-Heusler structured and crystallizes in the trigonal R3m space group. Ca(1) is bonded to three equivalent W(1) and four equivalent Ag(1) atoms to form distorted CaAg4W3 hexagonal pyramids that share corners with six equivalent Ag(1)Ca4W4 hexagonal bipyramids, corners with four equivalent W(1)Ca3Ag4 hexagonal pyramids, corners with six equivalent Ca(1)Ag4W3 hexagonal pyramids, edges with three equivalent Ag(1)Ca4W4 hexagonal bipyramids, edges with six equivalent Ca(1)Ag4W3 hexagonal pyramids, and edges with six equivalent W(1)Ca3Ag4 hexagonal pyramids. All Ca(1)-W(1) bond lengths are 2.81 Å. There are three shorter (2.77 Å) and one longer (3.63 Å) Ca(1)-Ag(1) bond length. W(1) is bonded to three equivalent Ca(1) and four equivalent Ag(1) atoms to form distorted WCa3Ag4 hexagonal pyramids that share corners with six equivalent Ag(1)Ca4W4 hexagonal bipyramids, corners with four equivalent Ca(1)Ag4W3 hexagonal pyramids, corners with six equivalent W(1)Ca3Ag4 hexagonal pyramids, edges with three equivalent Ag(1)Ca4W4 hexagonal bipyramids, edges with six equivalent Ca(1)Ag4W3 hexagonal pyramids, and edges with six equivalent W(1)Ca3Ag4 hexagonal pyramids. There are three shorter (2.77 Å) and one longer (3.63 Å) W(1)-Ag(1) bond length. Ag(1) is bonded to four equivalent Ca(1) and four equivalent W(1) atoms to form distorted AgCa4W4 hexagonal bipyramids that share corners with six equivalent Ca(1)Ag4W3 hexagonal pyramids, corners with six equivalent W(1)Ca3Ag4 hexagonal pyramids, edges with twelve equivalent Ag(1)Ca4W4 hexagonal bipyramids, edges with three equivalent Ca(1)Ag4W3 hexagonal pyramids, and edges with three equivalent W(1)Ca3Ag4 hexagonal pyramids.