data_GaB2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   3.12
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   91.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaB2Se
_chemical_formula_sum   'Ga1 B2 Se1'
_cell_volume   58.41
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.25  0.56  0.88  1.0
  B  B1  1  0.68  0.56  0.72  1.0
  Se  Se3  1  0.96  0.0  0.3  1.0

data_GaB2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.07
_cell_length_c   4.61
_cell_angle_alpha   91.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaB2Se
_chemical_formula_sum   'Ga1 B2 Se1'
_cell_volume   58.41
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.44  0.32  0.28  1.0
  B  B2  1  0.44  0.75  0.12  1.0
  Se  Se3  1  0.0  0.04  0.7  1.0

Ga B B Se
GaB2Se crystallizes in the triclinic P1 space group. Ga(1) is bonded in a 1-coordinate geometry to two equivalent B(1), two equivalent B(2), and one Se(1) atom. There is one shorter (1.80 Å) and one longer (2.09 Å) Ga(1)-B(1) bond length. There is one shorter (2.26 Å) and one longer (2.50 Å) Ga(1)-B(2) bond length. The Ga(1)-Se(1) bond length is 1.41 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to two equivalent Ga(1) and one B(2) atom. The B(1)-B(2) bond length is 1.93 Å. In the second B site, B(2) is bonded in a 4-coordinate geometry to two equivalent Ga(1), one B(1), and one Se(1) atom. The B(2)-Se(1) bond length is 2.67 Å. Se(1) is bonded in a single-bond geometry to one Ga(1) and one B(2) atom.