data_[Al2Sb2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.3145]
_cell_length_b [3.4665]
_cell_length_c [6.1444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [AlSbS2]
_chemical_formula_sum '[Al2 Sb2 S4]'
_cell_volume [172.0929]
_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  0.5000  0.2493  0.2500  1.0
  Sb  Sb1  2  0.0000  0.3218  0.7500  1.0
  S  S2  4  0.3374  0.2577  0.8663  1.0
]