data_BeH3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeH3S
_chemical_formula_sum   'Be1 H3 S1'
_cell_volume   34.94
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  H  H2  1  0.0  0.63  0.0  1.0
  H  H3  1  0.0  0.0  0.63  1.0
  H  H4  1  0.63  0.0  0.0  1.0
  S  S1  1  0.63  0.63  0.63  1.0

data_BeH3S
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeH3S
_chemical_formula_sum   'Be3 H9 S3'
_cell_volume   104.82
_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
  Be  Be0  3  0.0  0.0  0.0  1.0
  H  H1  9  0.09  0.54  0.54  1.0
  S  S2  3  0.0  0.0  0.63  1.0

Be H H H S
BeH3S is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three BeH3S clusters. Be(1) is bonded in a distorted T-shaped geometry to three equivalent H(1) atoms. All Be(1)-H(1) bond lengths are 1.19 Å. H(1) is bonded in a distorted single-bond geometry to one Be(1) and one S(1) atom. The H(1)-S(1) bond length is 1.69 Å. S(1) is bonded in a 3-coordinate geometry to three equivalent H(1) atoms.