data_SiAgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   9.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgTe2
_chemical_formula_sum   'Si1 Ag1 Te2'
_cell_volume   97.92
_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
  Si  Si1  1  0.0  0.0  0.81  1.0
  Ag  Ag0  1  0.98  0.0  0.6  1.0
  Te  Te2  1  0.98  0.0  0.57  1.0
  Te  Te3  1  0.0  0.0  0.93  1.0

data_SiAgTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   3.96
_cell_length_c   9.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiAgTe2
_chemical_formula_sum   'Si2 Ag2 Te4'
_cell_volume   195.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.0  0.0  0.81  1.0
  Ag  Ag1  2  0.49  0.5  0.6  1.0
  Te  Te2  2  0.0  0.0  0.93  1.0
  Te  Te3  2  0.49  0.5  0.57  1.0

Si Ag Te Te
Si Ag Te Te 0 3 o o o 1 2 o o o 