data_[Al4Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4398]
_cell_length_b [3.8174]
_cell_length_c [9.7523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.9266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Se5]
_chemical_formula_sum '[Al4 Se10]'
_cell_volume [412.2449]
_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  0.1350  0.5000  0.3931  1.0
  Se  Se1  4  0.0645  0.5000  0.8808  1.0
  Se  Se2  4  0.1877  0.0000  0.5920  1.0
  Se  Se3  2  0.0000  0.0000  0.0000  1.0
]