data_[Al1Zn1In1Te2Se2]
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 [P1]
_cell_length_a [5.8361]
_cell_length_b [5.8920]
_cell_length_c [7.2456]
_cell_angle_alpha [112.8223]
_cell_angle_beta [113.3408]
_cell_angle_gamma [90.0471]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlZnIn(TeSe)2]
_chemical_formula_sum '[Al1 Zn1 In1 Te2 Se2]'
_cell_volume [207.3086]
_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  0.4994  0.5198  0.9995  1
  Zn  Zn1  1  0.0002  0.9824  0.0006  1
  In  In2  1  0.2665  0.7484  0.4998  1
  Te  Te3  1  0.0923  0.1557  0.7394  1
  Te  Te4  1  0.8447  0.3520  0.2606  1
  Se  Se5  1  0.3988  0.8862  0.2413  1
  Se  Se6  1  0.6481  0.6055  0.7589  1
]