data_[Al4Te2Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2528]
_cell_length_b [9.7269]
_cell_length_c [8.3084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2TeBr8]
_chemical_formula_sum '[Al4 Te2 Br16]'
_cell_volume [990.0489]
_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  4  0.2077  0.0000  0.3032  1.0
  Te  Te1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0902  0.1884  0.2202  1.0
  Br  Br3  4  0.1381  0.5000  0.8444  1.0
  Br  Br4  4  0.2251  0.0000  0.5757  1.0
]