data_LaHfSn
_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   LaHfSn
_chemical_formula_sum   'La1 Hf1 Sn1'
_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  La1  1  0.84  0.84  0.84  1.0
  Hf  Hf0  1  0.67  0.67  0.67  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

data_LaHfSn
_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   LaHfSn
_chemical_formula_sum   'La3 Hf3 Sn3'
_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  0.16  1.0
  Hf  Hf1  3  0.0  0.0  0.33  1.0
  Sn  Sn2  3  0.0  0.0  0.0  1.0

La Hf Sn
La Hf Sn 0 1 o o o 0 2 + + + 
LaHfSn crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted linear geometry to one Hf(1) and one Sn(1) atom. The La(1)-Hf(1) bond length is 2.07 Å. The La(1)-Sn(1) bond length is 2.07 Å. Hf(1) is bonded to one La(1) and three equivalent Sn(1) atoms to form distorted corner-sharing HfLaSn3 trigonal pyramids. All Hf(1)-Sn(1) bond lengths are 3.00 Å. Sn(1) is bonded in a distorted single-bond geometry to one La(1) and three equivalent Hf(1) atoms.