data_[Al1Ag2As1S4]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3252]
_cell_length_b [6.2823]
_cell_length_c [6.4331]
_cell_angle_alpha [71.5185]
_cell_angle_beta [67.4384]
_cell_angle_gamma [88.8107]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlAg2AsS4]
_chemical_formula_sum '[Al1 Ag2 As1 S4]'
_cell_volume [187.2382]
_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  0.9931  0.5338  0.9694  1.0
  Ag  Ag1  1  0.5346  0.0391  0.9663  1.0
  Ag  Ag2  1  0.7419  0.6564  0.5338  1.0
  As  As3  1  0.2365  0.2921  0.4270  1.0
  S  S4  1  0.1860  0.6502  0.1871  1.0
  S  S5  1  0.3350  0.3731  0.7265  1.0
  S  S6  1  0.6733  0.2202  0.2200  1.0
  S  S7  1  0.9125  0.8480  0.7440  1.0
]