data_AgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   15.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAs2
_chemical_formula_sum   'Ag8 As16'
_cell_volume   501.54
_cell_formula_units_Z   8
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  1  0.0  0.0  0.97  1.0
  Ag  Ag1  1  0.0  0.0  0.27  1.0
  Ag  Ag2  1  0.0  0.0  0.35  1.0
  Ag  Ag3  1  0.0  0.0  0.88  1.0
  Ag  Ag4  1  0.0  0.56  0.26  1.0
  Ag  Ag5  1  0.08  0.78  0.98  1.0
  Ag  Ag6  1  0.08  0.78  0.87  1.0
  Ag  Ag7  1  0.0  0.56  0.36  1.0
  As  As8  1  0.0  0.56  0.61  1.0
  As  As9  1  0.08  0.78  0.62  1.0
  As  As10  1  0.08  0.78  0.99  1.0
  As  As11  1  0.0  0.56  0.24  1.0
  As  As12  1  0.54  0.67  0.62  1.0
  As  As13  1  0.08  0.0  0.62  1.0
  As  As14  1  0.46  0.67  0.62  1.0
  As  As15  1  0.54  0.67  0.0  1.0
  As  As16  1  0.08  0.0  0.0  1.0
  As  As17  1  0.46  0.67  0.0  1.0
  As  As18  1  0.25  0.57  0.42  1.0
  As  As19  1  0.0  0.54  0.42  1.0
  As  As20  1  0.75  0.57  0.42  1.0
  As  As21  1  0.83  0.77  0.81  1.0
  As  As22  1  0.08  0.8  0.81  1.0
  As  As23  1  0.34  0.77  0.81  1.0

data_AgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   15.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAs2
_chemical_formula_sum   'Ag8 As16'
_cell_volume   501.54
_cell_formula_units_Z   8
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  1  0.0  0.0  0.27  1.0
  Ag  Ag1  1  0.0  0.0  0.35  1.0
  Ag  Ag2  1  0.0  0.0  0.88  1.0
  Ag  Ag3  1  0.0  0.0  0.97  1.0
  Ag  Ag4  1  0.0  0.56  0.26  1.0
  Ag  Ag5  1  0.0  0.56  0.36  1.0
  Ag  Ag6  1  0.08  0.78  0.87  1.0
  Ag  Ag7  1  0.08  0.78  0.98  1.0
  As  As8  1  0.0  0.54  0.42  1.0
  As  As9  1  0.0  0.56  0.24  1.0
  As  As10  1  0.0  0.56  0.61  1.0
  As  As11  1  0.08  0.0  0.0  1.0
  As  As12  1  0.08  0.0  0.62  1.0
  As  As13  1  0.08  0.78  0.62  1.0
  As  As14  1  0.08  0.78  0.99  1.0
  As  As15  1  0.08  0.8  0.81  1.0
  As  As16  1  0.25  0.57  0.42  1.0
  As  As17  1  0.34  0.77  0.81  1.0
  As  As18  1  0.46  0.67  0.0  1.0
  As  As19  1  0.46  0.67  0.62  1.0
  As  As20  1  0.54  0.67  0.0  1.0
  As  As21  1  0.54  0.67  0.62  1.0
  As  As22  1  0.75  0.57  0.42  1.0
  As  As23  1  0.83  0.77  0.81  1.0

Ag Ag Ag Ag Ag Ag Ag Ag As As As As As As As As As As As As As As As As