data_CeAg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeAg2Mo
_chemical_formula_sum   'Ce1 Ag2 Mo1'
_cell_volume   83.25
_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
  Ce  Ce2  1  0.47  0.47  0.47  1.0
  Ag  Ag0  1  0.2  0.2  0.2  1.0
  Ag  Ag1  1  0.73  0.73  0.73  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_CeAg2Mo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   12.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CeAg2Mo
_chemical_formula_sum   'Ce3 Ag6 Mo3'
_cell_volume   249.76
_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
  Ce  Ce0  3  0.0  0.0  0.53  1.0
  Ag  Ag1  3  0.0  0.0  0.27  1.0
  Ag  Ag2  3  0.0  0.0  0.8  1.0
  Mo  Mo3  3  0.0  0.0  -0.0  1.0

Ce Ag Ag Mo
CeMoAg2 is Heusler structured and crystallizes in the trigonal R3m space group. Ce(1) is bonded in a 11-coordinate geometry to three equivalent Mo(1), four equivalent Ag(1), and four equivalent Ag(2) atoms. All Ce(1)-Mo(1) bond lengths are 3.25 Å. There are three shorter (2.94 Å) and one longer (3.21 Å) Ce(1)-Ag(1) bond length. There are three shorter (2.94 Å) and one longer (3.21 Å) Ce(1)-Ag(2) bond length. Mo(1) is bonded in a 1-coordinate geometry to three equivalent Ce(1), four equivalent Ag(1), and four equivalent Ag(2) atoms. There is one shorter (2.38 Å) and three longer (3.26 Å) Mo(1)-Ag(1) bond lengths. There are three shorter (2.94 Å) and one longer (3.21 Å) Mo(1)-Ag(2) bond length. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Mo(1) atoms. In the second Ag site, Ag(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Mo(1) atoms.