data_AlGeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.83
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGeSe2
_chemical_formula_sum   'Al1 Ge1 Se2'
_cell_volume   79.22
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.68  0.41  0.0  1.0
  Se  Se2  1  0.68  0.0  0.44  1.0
  Se  Se3  1  0.0  0.41  0.44  1.0

data_AlGeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.83
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGeSe2
_chemical_formula_sum   'Al1 Ge1 Se2'
_cell_volume   79.22
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.68  0.41  0.0  1.0
  Se  Se2  1  0.0  0.41  0.44  1.0
  Se  Se3  1  0.68  0.0  0.44  1.0

Al Ge Se Se
AlGeSe2 crystallizes in the triclinic P1 space group. Al(1) is bonded in a 7-coordinate geometry to three equivalent Ge(1), one Se(2), and three equivalent Se(1) atoms. There are a spread of Al(1)-Ge(1) bond distances ranging from 2.27-3.04 Å. The Al(1)-Se(2) bond length is 2.94 Å. There are a spread of Al(1)-Se(1) bond distances ranging from 2.41-3.14 Å. Ge(1) is bonded in a 2-coordinate geometry to three equivalent Al(1) and one Se(2) atom. The Ge(1)-Se(2) bond length is 2.41 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 1-coordinate geometry to three equivalent Al(1) atoms. In the second Se site, Se(2) is bonded in a 1-coordinate geometry to one Al(1) and one Ge(1) atom.