data_Ca4InAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4InAg
_chemical_formula_sum   'Ca4 In1 Ag1'
_cell_volume   209.18
_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  0.89  0.89  0.54  1.0
  Ca  Ca2  1  0.89  0.54  0.89  1.0
  Ca  Ca3  1  0.54  0.89  0.89  1.0
  Ca  Ca4  1  0.54  0.54  0.54  1.0
  In  In5  1  0.07  0.07  0.07  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Ca4InAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   16.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ca4InAg
_chemical_formula_sum   'Ca12 In3 Ag3'
_cell_volume   627.54
_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  9  0.22  0.43  0.9  1.0
  Ca  Ca1  3  0.0  0.0  0.46  1.0
  In  In2  3  0.0  0.0  0.93  1.0
  Ag  Ag3  3  0.0  0.0  0.0  1.0

Ca Ca Ca Ca In Ag
Ca4AgIn crystallizes in the trigonal R3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted single-bond geometry to three equivalent Ca(2) and one In(1) atom. There are two shorter (3.74 Å) and one longer (4.06 Å) Ca(1)-Ca(2) bond length. The Ca(1)-In(1) bond length is 2.56 Å. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to nine equivalent Ca(1) atoms. Ag(1) is bonded in a single-bond geometry to one In(1) atom. The Ag(1)-In(1) bond length is 1.10 Å. In(1) is bonded in a distorted tetrahedral geometry to three equivalent Ca(1) and one Ag(1) atom.