data_LaBiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBiCl
_chemical_formula_sum   'La1 Bi1 Cl1'
_cell_volume   92.67
_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  0.39  0.39  0.39  1.0
  Bi  Bi0  1  0.8  0.8  0.8  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_LaBiCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaBiCl
_chemical_formula_sum   'La3 Bi3 Cl3'
_cell_volume   278.01
_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  0.61  1.0
  Bi  Bi1  3  0.0  0.0  0.2  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0

La Bi Cl
LaBiCl crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted hexagonal planar geometry to three equivalent Bi(1) and three equivalent Cl(1) atoms. All La(1)-Bi(1) bond lengths are 3.08 Å. All La(1)-Cl(1) bond lengths are 3.01 Å. Bi(1) is bonded to three equivalent La(1) and one Cl(1) atom to form distorted BiLa3Cl tetrahedra that share corners with three equivalent Cl(1)La3Bi tetrahedra, corners with six equivalent Bi(1)La3Cl tetrahedra, and edges with three equivalent Cl(1)La3Bi tetrahedra. The Bi(1)-Cl(1) bond length is 2.54 Å. Cl(1) is bonded to three equivalent La(1) and one Bi(1) atom to form ClLa3Bi tetrahedra that share corners with three equivalent Bi(1)La3Cl tetrahedra, corners with six equivalent Cl(1)La3Bi tetrahedra, and edges with three equivalent Bi(1)La3Cl tetrahedra.