data_[Ag4P2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7943]
_cell_length_b [9.6308]
_cell_length_c [6.5472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.9012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ag2PS5]
_chemical_formula_sum '[Ag4 P2 S10]'
_cell_volume [459.6657]
_cell_formula_units_Z [2]
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  0.3255  0.2623  0.4985  1.0
  P  P1  2  0.0598  0.0000  0.1258  1.0
  S  S2  4  0.0892  0.1819  0.9943  1.0
  S  S3  2  0.2623  0.0000  0.5390  1.0
  S  S4  2  0.2867  0.5000  0.9972  1.0
  S  S5  2  0.3399  0.5000  0.3525  1.0
]