data_[Yb1Ag3S3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7319]
_cell_length_b [19.0368]
_cell_length_c [6.8060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Yb(AgS)3]
_chemical_formula_sum '[Yb1 Ag3 S3]'
_cell_volume [598.4041]
_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
[
  Yb  Yb0  1  0.1878  0.5000  0.9923  1
  Ag  Ag1  2  0.6327  0.3979  0.8223  1
  Ag  Ag2  1  0.9666  0.5000  0.5076  1
  S  S3  2  0.1040  0.3940  0.7305  1
  S  S4  1  0.7385  0.5000  0.1559  1
]