data_La2AgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AgB
_chemical_formula_sum   'La2 Ag1 B1'
_cell_volume   87.19
_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
  La  La2  1  0.76  0.76  0.76  1.0
  La  La3  1  0.52  0.52  0.52  1.0
  Ag  Ag0  1  0.28  0.28  0.28  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_La2AgB
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   12.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La2AgB
_chemical_formula_sum   'La6 Ag3 B3'
_cell_volume   261.57
_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  0.24  1.0
  La  La1  3  0.0  0.0  0.48  1.0
  Ag  Ag2  3  0.0  0.0  0.72  1.0
  B  B3  3  0.0  0.0  0.0  1.0

La La Ag B
La La Ag B 0 3 + o + 0 3 o + + 0 3 + + o 0 3 + + + 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 2 o o + 0 2 o + o 0 2 o + + 0 2 + o o 0 2 + o + 0 2 + + o 1 3 o o + 1 3 o + o 1 3 o + + 1 3 + o o 1 3 + o + 1 3 + + o 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 2 3 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
LaAgLaB crystallizes in the trigonal R3m space group. The structure consists of one LaAg framework and one LaB framework. In the LaAg framework, La(2) is bonded to four equivalent Ag(1) atoms to form distorted corner-sharing LaAg4 tetrahedra. There is one shorter (2.93 Å) and three longer (3.09 Å) La(2)-Ag(1) bond lengths. Ag(1) is bonded in a 4-coordinate geometry to four equivalent La(2) atoms. In the LaB framework, La(1) is bonded to four equivalent B(1) atoms to form distorted corner-sharing LaB4 tetrahedra. There is one shorter (2.93 Å) and three longer (3.09 Å) La(1)-B(1) bond lengths. B(1) is bonded in a 4-coordinate geometry to four equivalent La(1) atoms.