data_[Al6Sb10]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8076]
_cell_length_b [7.9190]
_cell_length_c [8.6960]
_cell_angle_alpha [88.6115]
_cell_angle_beta [77.2464]
_cell_angle_gamma [77.5208]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al3Sb5]
_chemical_formula_sum '[Al6 Sb10]'
_cell_volume [446.2891]
_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  0.1346  0.0845  0.5689  1
  Al  Al1  2  0.1776  0.0546  0.0858  1
  Al  Al2  2  0.4490  0.5137  0.7383  1
  Sb  Sb3  2  0.0109  0.6670  0.1428  1
  Sb  Sb4  2  0.2131  0.4131  0.5233  1
  Sb  Sb5  2  0.2434  0.8742  0.8051  1
  Sb  Sb6  2  0.3058  0.8525  0.3192  1
  Sb  Sb7  2  0.3251  0.3567  0.0340  1
]