data_YbAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   130.9
_cell_angle_beta   130.9
_cell_angle_gamma   71.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbAgS2
_chemical_formula_sum   'Yb2 Ag2 S4'
_cell_volume   166.47
_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
  Yb  Yb0  1  0.78  0.0  0.7  1.0
  Yb  Yb1  1  0.0  0.0  0.4  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.78  0.7  1.0
  S  S4  1  0.0  0.0  0.59  1.0
  S  S5  1  0.0  0.78  0.3  1.0
  S  S6  1  0.0  0.0  0.21  1.0
  S  S7  1  0.0  0.78  0.11  1.0

data_YbAgS2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.68
_cell_angle_alpha   114.55
_cell_angle_beta   114.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbAgS2
_chemical_formula_sum   'Yb2 Ag2 S4'
_cell_volume   166.47
_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
  Yb  Yb0  1  0.4  0.4  0.4  1.0
  Yb  Yb1  1  0.7  0.93  0.93  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.93  0.7  0.93  1.0
  S  S4  1  0.21  0.21  0.21  1.0
  S  S5  1  0.33  0.11  0.33  1.0
  S  S6  1  0.52  0.3  0.52  1.0
  S  S7  1  0.59  0.59  0.59  1.0

Yb Yb Ag Ag S S S S
Yb Yb Ag Ag S S S S 0 3 + - o 0 2 + o + 1 5 o - o 1 6 o o o 1 4 o o o 2 3 o - - 2 6 o o o 4 5 o - o 5 7 o o o 6 7 o - o 