data_AlGe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   145.86
_cell_angle_beta   136.27
_cell_angle_gamma   56.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGe2Te
_chemical_formula_sum   'Al1 Ge2 Te1'
_cell_volume   86.96
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.27  0.11  1.0
  Ge  Ge2  1  0.79  0.0  0.25  1.0
  Te  Te3  1  0.0  0.0  0.36  1.0

data_AlGe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.54
_cell_length_c   6.09
_cell_angle_alpha   111.86
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGe2Te
_chemical_formula_sum   'Al1 Ge2 Te1'
_cell_volume   86.96
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.53  0.75  0.53  1.0
  Ge  Ge2  1  0.89  0.16  0.16  1.0
  Te  Te3  1  0.64  0.64  0.64  1.0

Al Ge Ge Te
Al Ge Ge Te 0 1 o o o 2 3 + o o 