data_[Ag3S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [8.1269]
_cell_length_b [4.7698]
_cell_length_c [18.3259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Ag3S4]
_chemical_formula_sum '[Ag3 S4]'
_cell_volume [710.3754]
_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  2  0.2665  0.1018  0.9567  1
  Ag  Ag1  1  0.0000  0.7543  0.0000  1
  S  S2  2  0.4608  0.7592  0.9093  1
  S  S3  1  0.0000  0.2602  0.0000  1
  S  S4  1  0.5000  0.5284  0.0000  1
]