data_GeBiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBiSe
_chemical_formula_sum   'Ge1 Bi1 Se1'
_cell_volume   77.25
_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  0.0  0.0  0.6  1.0
  Bi  Bi0  1  0.81  0.04  0.08  1.0
  Se  Se2  1  0.0  0.09  0.13  1.0

data_GeBiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBiSe
_chemical_formula_sum   'Ge1 Bi1 Se1'
_cell_volume   77.25
_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  0.0  0.6  1.0
  Bi  Bi1  1  0.81  0.04  0.08  1.0
  Se  Se2  1  0.0  0.09  0.13  1.0

Ge Bi Se
Ge Bi Se 0 0 + + o 0 0 o + o 0 0 + o o 0 2 o o o 0 2 o o + 0 1 - o o 0 1 - o + 1 2 + o o 