data_[Al2In4Ga2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5994]
_cell_length_b [10.1337]
_cell_length_c [7.4478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [AlIn2GaTe4]
_chemical_formula_sum '[Al2 In4 Ga2 Te8]'
_cell_volume [554.3541]
_cell_formula_units_Z [2]
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  2  0.0000  0.5003  0.5000  1.0
  In  In1  2  0.0000  0.1678  0.0000  1.0
  In  In2  2  0.0000  0.9164  0.5000  1.0
  Ga  Ga3  2  0.0000  0.7513  0.0000  1.0
  Te  Te4  4  0.1944  0.6368  0.4258  1.0
  Te  Te5  4  0.2268  0.3885  0.9214  1.0
]