data_LaAg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Sb
_chemical_formula_sum   'La1 Ag2 Sb1'
_cell_volume   99.25
_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
  La  La2  1  0.51  0.51  0.51  1.0
  Ag  Ag0  1  0.84  0.84  0.84  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.67  0.67  0.67  1.0

data_LaAg2Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaAg2Sb
_chemical_formula_sum   'La3 Ag6 Sb3'
_cell_volume   297.76
_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
  La  La0  3  0.0  0.0  0.49  1.0
  Ag  Ag1  3  0.0  0.0  0.0  1.0
  Ag  Ag2  3  0.0  0.0  0.16  1.0
  Sb  Sb3  3  0.0  0.0  0.33  1.0

La Ag Ag Sb
LaAg2Sb crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted single-bond geometry to three equivalent Ag(1), three equivalent Ag(2), and one Sb(1) atom. All La(1)-Ag(1) bond lengths are 3.00 Å. All La(1)-Ag(2) bond lengths are 3.77 Å. The La(1)-Sb(1) bond length is 2.07 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to three equivalent La(1), one Ag(2), and one Sb(1) atom to form corner-sharing AgLa3AgSb trigonal bipyramids. The Ag(1)-Ag(2) bond length is 2.07 Å. The Ag(1)-Sb(1) bond length is 2.07 Å. In the second Ag site, Ag(2) is bonded in a 7-coordinate geometry to three equivalent La(1), one Ag(1), and three equivalent Sb(1) atoms. All Ag(2)-Sb(1) bond lengths are 3.00 Å. Sb(1) is bonded in a distorted linear geometry to one La(1), one Ag(1), and three equivalent Ag(2) atoms.