data_[Ag8Sb4P4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4804]
_cell_length_b [7.3819]
_cell_length_c [9.5542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ag2SbPS4]
_chemical_formula_sum '[Ag8 Sb4 P4 S16]'
_cell_volume [778.5865]
_cell_formula_units_Z [4]
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  4  0.1655  0.2966  0.5091  1.0
  Ag  Ag1  2  0.4425  0.0000  0.7138  1.0
  Ag  Ag2  2  0.4550  0.5000  0.4517  1.0
  Sb  Sb3  4  0.2897  0.7455  0.0458  1.0
  P  P4  2  0.3746  0.0000  0.4301  1.0
  P  P5  2  0.4636  0.5000  0.8598  1.0
  S  S6  4  0.2680  0.2308  0.3245  1.0
  S  S7  4  0.3381  0.2746  0.7831  1.0
  S  S8  2  0.0658  0.0000  0.7383  1.0
  S  S9  2  0.1346  0.5000  0.9717  1.0
  S  S10  2  0.4464  0.5000  0.1810  1.0
  S  S11  2  0.4948  0.0000  0.3288  1.0
]