data_AlGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   3.82
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   95.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaTe2
_chemical_formula_sum   'Al1 Ga1 Te2'
_cell_volume   107.89
_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
  Ga  Ga1  1  0.69  0.0  0.49  1.0
  Te  Te2  1  0.23  0.91  0.36  1.0
  Te  Te3  1  0.19  0.91  0.63  1.0

data_AlGaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.04
_cell_length_c   7.01
_cell_angle_alpha   95.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaTe2
_chemical_formula_sum   'Al1 Ga1 Te2'
_cell_volume   107.89
_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
  Ga  Ga1  1  0.0  0.31  0.51  1.0
  Te  Te2  1  0.09  0.77  0.64  1.0
  Te  Te3  1  0.09  0.81  0.37  1.0

Al Ga Te Te