data_FeAg3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg3Mo
_chemical_formula_sum   'Fe1 Ag3 Mo1'
_cell_volume   127.07
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.51  0.0  0.51  1.0
  Ag  Ag3  1  0.51  0.51  0.0  1.0
  Ag  Ag4  1  0.0  0.51  0.51  1.0
  Mo  Mo0  1  0.51  0.51  0.51  1.0

data_FeAg3Mo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   FeAg3Mo
_chemical_formula_sum   'Fe3 Ag9 Mo3'
_cell_volume   381.2
_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
  Fe  Fe0  3  0.0  0.0  0.0  1.0
  Ag  Ag1  9  0.17  0.83  0.34  1.0
  Mo  Mo2  3  0.0  0.0  0.51  1.0

Fe Ag Ag Ag Mo
Fe Ag Ag Ag Mo 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 1 - o - 0 1 - o o 0 1 o o - 0 1 o o o 0 3 o - - 0 3 o - o 0 3 o o - 0 3 o o o 1 4 o - o 1 4 o o o 2 4 o o - 2 4 o o o 3 4 - o o 3 4 o o o 
MoFeAg3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Mo(1) is bonded to six equivalent Ag(1) atoms to form MoAg6 octahedra that share corners with six equivalent Mo(1)Ag6 octahedra and faces with eight equivalent Fe(1)Ag12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.44 Å) and three longer (2.58 Å) Mo(1)-Ag(1) bond lengths. Fe(1) is bonded to twelve equivalent Ag(1) atoms to form distorted FeAg12 cuboctahedra that share corners with twelve equivalent Fe(1)Ag12 cuboctahedra, faces with six equivalent Fe(1)Ag12 cuboctahedra, and faces with eight equivalent Mo(1)Ag6 octahedra. There are a spread of Fe(1)-Ag(1) bond distances ranging from 3.46-3.65 Å. Ag(1) is bonded in a distorted linear geometry to two equivalent Mo(1) and four equivalent Fe(1) atoms.