data_GeBSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   134.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBSe2
_chemical_formula_sum   'Ge1 B1 Se2'
_cell_volume   99.32
_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
  Ge  Ge1  1  0.55  0.0  0.52  1.0
  B  B0  1  0.0  0.0  0.39  1.0
  Se  Se2  1  0.0  0.0  0.56  1.0
  Se  Se3  1  0.55  0.0  0.63  1.0

data_GeBSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.98
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBSe2
_chemical_formula_sum   'Ge1 B1 Se2'
_cell_volume   99.32
_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
  Ge  Ge0  1  0.0  0.55  0.52  1.0
  B  B1  1  0.0  0.0  0.39  1.0
  Se  Se2  1  0.0  0.0  0.56  1.0
  Se  Se3  1  0.0  0.55  0.63  1.0

Ge B Se Se