data_[Al1Ag2Sb1S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4450]
_cell_length_b [6.1204]
_cell_length_c [6.6550]
_cell_angle_alpha [106.9743]
_cell_angle_beta [112.5967]
_cell_angle_gamma [90.1883]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlAg2SbS4]
_chemical_formula_sum '[Al1 Ag2 Sb1 S4]'
_cell_volume [194.1534]
_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  0.0004  0.4638  0.9736  1.0
  Ag  Ag1  1  0.2454  0.3410  0.5197  1.0
  Ag  Ag2  1  0.4732  0.9459  0.9620  1.0
  Sb  Sb3  1  0.7768  0.7334  0.4311  1.0
  S  S4  1  0.1074  0.1618  0.7601  1.0
  S  S5  1  0.3008  0.7921  0.2151  1.0
  S  S6  1  0.6634  0.6197  0.7320  1.0
  S  S7  1  0.8197  0.3293  0.1805  1.0
]