data_[Al4As2S3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8844]
_cell_length_b [7.0787]
_cell_length_c [18.2571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al4As2S3]
_chemical_formula_sum '[Al4 As2 S3]'
_cell_volume [760.4765]
_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  2  0.5651  0.2842  0.4764  1
  Al  Al1  1  0.0535  0.0000  0.5258  1
  Al  Al2  1  0.9866  0.5000  0.5062  1
  As  As3  1  0.3495  0.0000  0.4369  1
  As  As4  1  0.7715  0.5000  0.3922  1
  S  S5  2  0.8465  0.2397  0.5706  1
  S  S6  1  0.3519  0.5000  0.5451  1
]