data_[Al4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [20.5000]
_cell_length_b [3.0121]
_cell_length_c [20.5000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al2Te3]
_chemical_formula_sum '[Al4 Te6]'
_cell_volume [1096.2337]
_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  1  0.2041  0.5000  0.2726  1
  Al  Al1  1  0.2575  0.0000  0.3993  1
  Al  Al2  1  0.7406  0.0000  0.6542  1
  Al  Al3  1  0.8008  0.5000  0.5872  1
  Te  Te4  1  0.3254  0.0000  0.5490  1
  Te  Te5  1  0.3636  0.5000  0.3575  1
  Te  Te6  1  0.4956  0.0000  0.6214  1
  Te  Te7  1  0.5065  0.5000  0.3264  1
  Te  Te8  1  0.6413  0.5000  0.5042  1
  Te  Te9  1  0.6647  0.0000  0.7281  1
]