data_AgSe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31
_cell_length_b   8.31
_cell_length_c   3.93
_cell_angle_alpha   97.69
_cell_angle_beta   97.69
_cell_angle_gamma   26.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSe2Br
_chemical_formula_sum   'Ag1 Se2 Br1'
_cell_volume   118.62
_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
  Ag  Ag0  1  0.82  0.0  0.95  1.0
  Se  Se2  1  0.33  0.0  0.62  1.0
  Se  Se3  1  0.31  0.0  0.28  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_AgSe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.93
_cell_length_c   8.31
_cell_angle_alpha   97.69
_cell_angle_beta   103.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSe2Br
_chemical_formula_sum   'Ag1 Se2 Br1'
_cell_volume   118.62
_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
  Ag  Ag0  1  0.0  0.95  0.82  1.0
  Se  Se1  1  0.0  0.28  0.31  1.0
  Se  Se2  1  0.0  0.62  0.33  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ag Se Se Br