data_LaHfCrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfCrIn
_chemical_formula_sum   'La1 Hf1 Cr1 In1'
_cell_volume   90.9
_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  La3  1  0.57  0.57  0.57  1.0
  Hf  Hf1  1  0.35  0.35  0.35  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In2  1  0.78  0.78  0.78  1.0

data_LaHfCrIn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaHfCrIn
_chemical_formula_sum   'La3 Hf3 Cr3 In3'
_cell_volume   272.69
_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  0.43  1.0
  Hf  Hf1  3  0.0  0.0  0.65  1.0
  Cr  Cr2  3  0.0  0.0  -0.0  1.0
  In  In3  3  0.0  0.0  0.22  1.0

La Hf Cr In
LaHfCrIn crystallizes in the trigonal R3m space group. La(1) is bonded in a 11-coordinate geometry to four equivalent Hf(1), three equivalent Cr(1), and four equivalent In(1) atoms. There is one shorter (2.67 Å) and three longer (3.26 Å) La(1)-Hf(1) bond lengths. All La(1)-Cr(1) bond lengths are 3.16 Å. There is one shorter (2.67 Å) and three longer (3.26 Å) La(1)-In(1) bond lengths. Hf(1) is bonded in a 10-coordinate geometry to four equivalent La(1), three equivalent Cr(1), and three equivalent In(1) atoms. All Hf(1)-Cr(1) bond lengths are 2.92 Å. All Hf(1)-In(1) bond lengths are 3.16 Å. Cr(1) is bonded in a 10-coordinate geometry to three equivalent La(1), three equivalent Hf(1), and four equivalent In(1) atoms. There is one shorter (2.67 Å) and three longer (3.26 Å) Cr(1)-In(1) bond lengths. In(1) is bonded in a 11-coordinate geometry to four equivalent La(1), three equivalent Hf(1), and four equivalent Cr(1) atoms.