data_SiAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgAs2
_chemical_formula_sum   'Si1 Ag1 As2'
_cell_volume   71.99
_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  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.9  1.0
  As  As1  1  0.48  0.0  0.54  1.0
  As  As2  1  0.48  0.0  0.25  1.0

data_SiAgAs2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   2.89
_cell_length_b   5.1
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   SiAgAs2
_chemical_formula_sum   'Si2 Ag2 As4'
_cell_volume   144.05
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.9  1.0
  As  As2  2  0.0  0.5  0.25  1.0
  As  As3  2  0.0  0.5  0.54  1.0

Si Ag As As
Si Ag As As 0 1 o o - 0 3 o o o 0 3 - o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 