data_Ge(BiTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   32.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge(BiTe2)2
_chemical_formula_sum   'Ge1 Bi2 Te4'
_cell_volume   542.45
_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  0.67  0.33  0.45  1.0
  Bi  Bi1  1  0.33  0.67  0.33  1.0
  Bi  Bi2  1  0.0  0.0  0.56  1.0
  Te  Te3  1  0.67  0.33  0.28  1.0
  Te  Te4  1  0.0  0.0  0.39  1.0
  Te  Te5  1  0.33  0.67  0.5  1.0
  Te  Te6  1  0.67  0.33  0.61  1.0

Ge Bi Bi Te Te Te Te 0 4 o o o 0 4 + o o 0 4 + + o 0 5 o o o 0 5 o - o 0 5 + o o 1 3 - o o 1 3 o o o 1 3 o + o 1 4 o + o 1 4 o o o 1 4 + + o 2 5 - - o 2 5 o - o 2 5 o o o 2 6 - o o 2 6 - - o 2 6 o o o 
data_Ge(BiTe2)2
_symmetry_space_group_name_H-M   P-3m1
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   32.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   164
_chemical_formula_structural   Ge(BiTe2)2
_chemical_formula_sum   'Ge1 Bi2 Te4'
_cell_volume   542.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  'y, x, -z'
  8  '-y, -x, z'
  9  'x-y, -y, -z'
  10  '-x+y, y, z'
  11  '-x, -x+y, -z'
  12  'x, 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  0.0  1.0
  Bi  Bi1  2  0.33  0.67  0.12  1.0
  Te  Te2  2  0.0  0.0  0.17  1.0
  Te  Te3  2  0.33  0.67  0.95  1.0
