data_Er2HfCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2HfCr
_chemical_formula_sum   'Er2 Hf1 Cr1'
_cell_volume   94.31
_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
  Er  Er1  1  0.42  0.42  0.42  1.0
  Er  Er2  1  0.81  0.81  0.81  1.0
  Hf  Hf3  1  0.61  0.61  0.61  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Er2HfCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Er2HfCr
_chemical_formula_sum   'Er6 Hf3 Cr3'
_cell_volume   282.92
_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
  Er  Er0  3  0.0  0.0  0.19  1.0
  Er  Er1  3  0.0  0.0  0.58  1.0
  Hf  Hf2  3  0.0  0.0  0.39  1.0
  Cr  Cr3  3  0.0  0.0  -0.0  1.0

Er Er Hf Cr
Er Er Hf Cr 0 3 o o + 0 3 o + o 0 3 + o o 0 1 - o o 0 1 o - o 0 1 o o - 0 2 o o o 1 2 o o o 1 3 + + + 2 3 + + o 2 3 + o + 2 3 o + + 
Er2HfCr crystallizes in the trigonal R3m space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 4-coordinate geometry to one Hf(1) and three equivalent Cr(1) atoms. The Er(1)-Hf(1) bond length is 2.42 Å. All Er(1)-Cr(1) bond lengths are 3.14 Å. In the second Er site, Er(2) is bonded in a distorted linear geometry to one Hf(1) and one Cr(1) atom. The Er(2)-Hf(1) bond length is 2.42 Å. The Er(2)-Cr(1) bond length is 2.42 Å. Hf(1) is bonded in a 5-coordinate geometry to one Er(1), one Er(2), and three equivalent Cr(1) atoms. All Hf(1)-Cr(1) bond lengths are 3.03 Å. Cr(1) is bonded in a 1-coordinate geometry to one Er(2), three equivalent Er(1), and three equivalent Hf(1) atoms.