data_AgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91
_cell_length_b   7.91
_cell_length_c   7.06
_cell_angle_alpha   108.89
_cell_angle_beta   108.89
_cell_angle_gamma   21.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSe2
_chemical_formula_sum   'Ag2 Se4'
_cell_volume   150.07
_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  0.86  0.0  0.45  1.0
  Ag  Ag1  1  0.43  0.0  0.35  1.0
  Se  Se2  1  0.1  0.0  0.95  1.0
  Se  Se3  1  0.8  0.0  0.68  1.0
  Se  Se4  1  0.77  0.0  0.48  1.0
  Se  Se5  1  0.39  0.0  0.62  1.0

data_AgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   7.06
_cell_length_c   7.91
_cell_angle_alpha   108.89
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSe2
_chemical_formula_sum   'Ag2 Se4'
_cell_volume   150.07
_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  0.0  0.35  0.43  1.0
  Ag  Ag1  1  0.0  0.45  0.86  1.0
  Se  Se2  1  0.0  0.48  0.77  1.0
  Se  Se3  1  0.0  0.62  0.39  1.0
  Se  Se4  1  0.0  0.68  0.8  1.0
  Se  Se5  1  0.0  0.95  0.1  1.0

Ag Ag Se Se Se Se
Ag Ag Se Se Se Se 0 4 o o o 1 5 o o o 1 2 o o - 2 3 - o o 2 2 + - o 3 4 o o o 