data_Ge2BiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   145.36
_cell_angle_beta   130.31
_cell_angle_gamma   61.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BiTe
_chemical_formula_sum   'Ge2 Bi1 Te1'
_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  0.0  0.0  0.26  1.0
  Ge  Ge2  1  0.83  0.0  0.49  1.0
  Bi  Bi0  1  0.0  0.58  0.74  1.0
  Te  Te3  1  0.0  0.0  0.05  1.0

data_Ge2BiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.16
_cell_length_c   6.14
_cell_angle_alpha   114.84
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BiTe
_chemical_formula_sum   'Ge2 Bi1 Te1'
_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  0.26  0.26  1.0
  Ge  Ge1  1  0.0  0.49  0.66  1.0
  Bi  Bi2  1  0.42  0.16  0.16  1.0
  Te  Te3  1  0.0  0.05  0.05  1.0

Ge Ge Bi Te
Ge Ge Bi Te 0 3 o o o 0 1 - o o 2 3 o + + 