data_YBe4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe4As
_chemical_formula_sum   'Y1 Be4 As1'
_cell_volume   82.94
_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
  Y  Y5  1  0.19  0.19  0.19  1.0
  Be  Be1  1  0.3  0.3  0.62  1.0
  Be  Be2  1  0.3  0.62  0.3  1.0
  Be  Be3  1  0.62  0.3  0.3  1.0
  Be  Be4  1  0.62  0.62  0.62  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_YBe4As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YBe4As
_chemical_formula_sum   'Y3 Be12 As3'
_cell_volume   248.81
_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
  Y  Y0  3  0.0  0.0  0.81  1.0
  Be  Be1  9  0.11  0.21  0.59  1.0
  Be  Be2  3  0.0  0.0  0.38  1.0
  As  As3  3  0.0  0.0  -0.0  1.0

Y Be Be Be Be As
Be4YAs crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 4-coordinate geometry to two equivalent Be(1), one Y(1), and one As(1) atom. Both Be(1)-Be(1) bond lengths are 1.55 Å. The Be(1)-Y(1) bond length is 2.38 Å. The Be(1)-As(1) bond length is 2.13 Å. In the second Be site, Be(2) is bonded in a 6-coordinate geometry to three equivalent Y(1) and three equivalent As(1) atoms. All Be(2)-Y(1) bond lengths are 3.04 Å. All Be(2)-As(1) bond lengths are 2.88 Å. Y(1) is bonded in a 4-coordinate geometry to three equivalent Be(1), three equivalent Be(2), and one As(1) atom. The Y(1)-As(1) bond length is 2.30 Å. As(1) is bonded in a 4-coordinate geometry to three equivalent Be(1), three equivalent Be(2), and one Y(1) atom.