data_Ag3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Se
_chemical_formula_sum   'Ag6 Se2'
_cell_volume   151.59
_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
  Ag  Ag0  1  0.02  0.54  0.2  1.0
  Ag  Ag1  1  0.0  0.7  0.59  1.0
  Ag  Ag2  1  0.58  0.85  0.2  1.0
  Ag  Ag3  1  0.45  0.39  0.59  1.0
  Ag  Ag4  1  0.55  0.39  0.59  1.0
  Ag  Ag5  1  0.47  0.85  0.2  1.0
  Se  Se6  1  0.0  0.49  0.2  1.0
  Se  Se7  1  0.02  0.75  0.59  1.0

data_Ag3Se
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.78
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ag3Se
_chemical_formula_sum   'Ag6 Se2'
_cell_volume   151.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.2  0.44  0.27  1.0
  Ag  Ag1  2  0.2  0.99  0.58  1.0
  Ag  Ag2  2  0.2  0.54  0.27  1.0
  Se  Se3  2  0.2  0.01  0.63  1.0

Ag Ag Ag Ag Ag Ag Se Se