data_BeGeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.38
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   101.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGeSe2
_chemical_formula_sum   'Be1 Ge1 Se2'
_cell_volume   79.89
_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
  Ge  Ge1  1  0.2  0.0  0.21  1.0
  Se  Se2  1  0.28  0.69  0.94  1.0
  Se  Se3  1  0.13  0.69  0.48  1.0

data_BeGeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.68
_cell_length_c   6.55
_cell_angle_alpha   101.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGeSe2
_chemical_formula_sum   'Be1 Ge1 Se2'
_cell_volume   79.89
_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
  Ge  Ge1  1  0.0  0.8  0.79  1.0
  Se  Se2  1  0.31  0.72  0.06  1.0
  Se  Se3  1  0.31  0.87  0.52  1.0

Be Ge Se Se
Be Ge Se Se 0 2 o - - 0 1 o o o 1 3 o - o 
BeGeSe2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeGeSe2 cluster. Be(1) is bonded in a distorted L-shaped geometry to one Ge(1) and one Se(1) atom. The Be(1)-Ge(1) bond length is 1.45 Å. The Be(1)-Se(1) bond length is 1.57 Å. Ge(1) is bonded in a 2-coordinate geometry to one Be(1) and one Se(2) atom. The Ge(1)-Se(2) bond length is 2.12 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to one Be(1) atom. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one Ge(1) atom.