data_AlGe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   4.63
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   96.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGe2Te
_chemical_formula_sum   'Al1 Ge2 Te1'
_cell_volume   89.06
_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  0.29  0.32  0.15  1.0
  Ge  Ge2  1  0.26  0.32  0.74  1.0
  Te  Te3  1  0.28  0.0  0.94  1.0

data_AlGe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.63
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   96.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGe2Te
_chemical_formula_sum   'Al1 Ge2 Te1'
_cell_volume   89.06
_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  0.26  0.32  0.74  1.0
  Ge  Ge2  1  0.29  0.32  0.15  1.0
  Te  Te3  1  0.28  0.0  0.94  1.0

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