data_[Al1Ag1Sb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.7305]
_cell_length_b [6.7305]
_cell_length_c [18.5664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [AlAg(SbSe3)2]
_chemical_formula_sum '[Al1 Ag1 Sb2 Se6]'
_cell_volume [728.3742]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.5000  1
  Ag  Ag1  1  0.3333  0.6667  0.5000  1
  Sb  Sb2  2  0.0000  0.0000  0.4251  1
  Se  Se3  6  0.3976  0.0454  0.5960  1
]