data_Er2BeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2BeSn
_chemical_formula_sum   'Er2 Be1 Sn1'
_cell_volume   90.7
_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  0.35  0.35  0.35  1.0
  Er  Er2  1  0.78  0.78  0.78  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.57  0.57  0.57  1.0

data_Er2BeSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   12.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Er2BeSn
_chemical_formula_sum   'Er6 Be3 Sn3'
_cell_volume   272.1
_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  0.22  1.0
  Er  Er1  3  0.0  0.0  0.65  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Sn  Sn3  3  0.0  0.0  0.43  1.0

Er Er Be Sn
BeEr2Sn is Heusler structured and crystallizes in the trigonal R3m space group. Be(1) is bonded in a 7-coordinate geometry to three equivalent Er(1) and four equivalent Er(2) atoms. All Be(1)-Er(1) bond lengths are 2.92 Å. There is one shorter (2.68 Å) and three longer (3.25 Å) Be(1)-Er(2) bond lengths. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to three equivalent Be(1) and four equivalent Sn(1) atoms. There is one shorter (2.68 Å) and three longer (3.25 Å) Er(1)-Sn(1) bond lengths. In the second Er site, Er(2) is bonded in a 2-coordinate geometry to four equivalent Be(1) and one Sn(1) atom. The Er(2)-Sn(1) bond length is 2.68 Å. Sn(1) is bonded in a distorted linear geometry to one Er(2) and four equivalent Er(1) atoms.