data_[Al2Zn2In2Te4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.2479]
_cell_length_b [11.9699]
_cell_length_c [5.8995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.2468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [AlZnIn(TeSe)2]
_chemical_formula_sum '[Al2 Zn2 In2 Te4 Se4]'
_cell_volume [417.2275]
_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  0.0081  0.0000  1
  Zn  Zn1  2  0.0000  0.5050  0.0000  1
  In  In2  2  0.0000  0.2425  0.5000  1
  Te  Te3  4  0.2131  0.8728  0.4928  1
  Se  Se4  4  0.2390  0.6244  0.9661  1
]