data_[Al2Sb2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7741]
_cell_length_b [3.8322]
_cell_length_c [18.2963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlSbSe3]
_chemical_formula_sum '[Al2 Sb2 Se6]'
_cell_volume [965.7749]
_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  0.2140  0.0000  0.5212  1
  Sb  Sb1  2  0.4564  0.0000  0.5149  1
  Se  Se2  2  0.0612  0.0000  0.4460  1
  Se  Se3  2  0.2258  0.5000  0.5990  1
  Se  Se4  2  0.3245  0.0000  0.4189  1
]