data_[Ag2As1P1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7558]
_cell_length_b [5.8582]
_cell_length_c [6.1324]
_cell_angle_alpha [96.6591]
_cell_angle_beta [96.9616]
_cell_angle_gamma [90.9636]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2AsPS4]
_chemical_formula_sum '[Ag2 As1 P1 S4]'
_cell_volume [203.7707]
_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
[
  Ag  Ag0  1  0.6743  0.9513  0.1022  1.0
  Ag  Ag1  1  0.6910  0.9146  0.5989  1.0
  As  As2  1  0.0321  0.5039  0.9505  1.0
  P  P3  1  0.2394  0.2565  0.4476  1.0
  S  S4  1  0.0700  0.1534  0.7209  1.0
  S  S5  1  0.3267  0.9245  0.3271  1.0
  S  S6  1  0.6653  0.5905  0.8392  1.0
  S  S7  1  0.9141  0.3183  0.2395  1.0
]