data_GeBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   3.41
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   108.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBTe2
_chemical_formula_sum   'Ge1 B1 Te2'
_cell_volume   96.21
_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  0.46  0.7  0.19  1.0
  B  B0  1  0.03  0.0  0.63  1.0
  Te  Te2  1  0.96  0.0  0.61  1.0
  Te  Te3  1  0.07  0.7  0.05  1.0

data_GeBTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.47
_cell_length_c   6.66
_cell_angle_alpha   108.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBTe2
_chemical_formula_sum   'Ge1 B1 Te2'
_cell_volume   96.21
_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  0.3  0.54  0.81  1.0
  B  B1  1  0.0  0.97  0.37  1.0
  Te  Te2  1  0.0  0.04  0.39  1.0
  Te  Te3  1  0.3  0.93  0.95  1.0

Ge B Te Te
Ge B Te Te 0 3 o o o 1 2 - o o 