data_ScMnBeSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnBeSn
_chemical_formula_sum   'Sc1 Mn1 Be1 Sn1'
_cell_volume   66.57
_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
  Sc  Sc2  1  0.61  0.61  0.61  1.0
  Mn  Mn1  1  0.83  0.83  0.83  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.22  0.22  0.22  1.0

data_ScMnBeSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScMnBeSn
_chemical_formula_sum   'Sc3 Mn3 Be3 Sn3'
_cell_volume   199.71
_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
  Sc  Sc0  3  0.0  0.0  0.39  1.0
  Mn  Mn1  3  0.0  0.0  0.17  1.0
  Be  Be2  3  0.0  0.0  -0.0  1.0
  Sn  Sn3  3  0.0  0.0  0.78  1.0

Sc Mn Be Sn
Sc Mn Be Sn 0 1 o - o 0 1 - o o 0 1 o o - 0 1 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 1 2 + + + 1 3 + + o 1 3 + o + 1 3 o + + 2 3 o o o 2 3 o o - 2 3 - o o 2 3 o - o 
BeScMnSn crystallizes in the trigonal R3m space group. Be(1) is bonded in a 2-coordinate geometry to three equivalent Sc(1), one Mn(1), and four equivalent Sn(1) atoms. All Be(1)-Sc(1) bond lengths are 2.71 Å. The Be(1)-Mn(1) bond length is 1.95 Å. There is one shorter (2.42 Å) and three longer (2.93 Å) Be(1)-Sn(1) bond lengths. Sc(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), four equivalent Mn(1), and three equivalent Sn(1) atoms. There is one shorter (2.42 Å) and three longer (2.93 Å) Sc(1)-Mn(1) bond lengths. All Sc(1)-Sn(1) bond lengths are 2.71 Å. Mn(1) is bonded in a 5-coordinate geometry to one Be(1), four equivalent Sc(1), and three equivalent Sn(1) atoms. All Mn(1)-Sn(1) bond lengths are 2.71 Å. Sn(1) is bonded in a 10-coordinate geometry to four equivalent Be(1), three equivalent Sc(1), and three equivalent Mn(1) atoms.