data_Ge2BSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   3.48
_cell_angle_alpha   95.95
_cell_angle_beta   95.95
_cell_angle_gamma   27.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BSe
_chemical_formula_sum   'Ge2 B1 Se1'
_cell_volume   77.92
_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  0.83  0.0  0.01  1.0
  Ge  Ge2  1  0.59  0.0  0.26  1.0
  B  B0  1  0.12  0.0  0.13  1.0
  Se  Se3  1  0.67  0.0  0.8  1.0

data_Ge2BSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.48
_cell_length_c   6.95
_cell_angle_alpha   95.95
_cell_angle_beta   103.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BSe
_chemical_formula_sum   'Ge2 B1 Se1'
_cell_volume   77.92
_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  0.01  0.83  1.0
  Ge  Ge1  1  0.0  0.26  0.59  1.0
  B  B2  1  0.0  0.13  0.12  1.0
  Se  Se3  1  0.0  0.8  0.67  1.0

Ge Ge B Se
Ge Ge B Se 0 3 o o - 0 1 o o o 0 2 + o o 1 3 o o - 1 3 o o o 