data_[Al2Sb2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6547]
_cell_length_b [7.0142]
_cell_length_c [8.7445]
_cell_angle_alpha [96.0366]
_cell_angle_beta [101.9893]
_cell_angle_gamma [101.9245]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlSbTe]
_chemical_formula_sum '[Al2 Sb2 Te2]'
_cell_volume [211.9577]
_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  0.3203  0.9729  0.6629  1
  Sb  Sb1  2  0.3788  0.8003  0.9198  1
  Te  Te2  2  0.0874  0.7505  0.3723  1
]