data_[Al4Te8]
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 [C2/m]
_cell_length_a [15.6470]
_cell_length_b [4.0048]
_cell_length_c [9.8869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlTe2]
_chemical_formula_sum '[Al4 Te8]'
_cell_volume [499.9474]
_cell_formula_units_Z [4]
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  4  0.1450  0.0000  0.3731  1.0
  Te  Te1  4  0.0158  0.5000  0.1580  1.0
  Te  Te2  4  0.1743  0.5000  0.5962  1.0
]