data_[Al1Cd1Ga1Te2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8979]
_cell_length_b [5.9975]
_cell_length_c [6.8286]
_cell_angle_alpha [113.8974]
_cell_angle_beta [114.3665]
_cell_angle_gamma [90.4476]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlCdGa(TeS)2]
_chemical_formula_sum '[Al1 Cd1 Ga1 Te2 S2]'
_cell_volume [196.6797]
_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  0.9959  0.0293  0.9967  1
  Cd  Cd1  1  0.5017  0.4781  0.0064  1
  Ga  Ga2  1  0.7782  0.2448  0.4996  1
  Te  Te3  1  0.3628  0.8978  0.2848  1
  Te  Te4  1  0.6152  0.6357  0.7131  1
  S  S5  1  0.1012  0.1174  0.7460  1
  S  S6  1  0.8950  0.3469  0.2533  1
]