data_AgSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   6.87
_cell_angle_alpha   107.03
_cell_angle_beta   107.03
_cell_angle_gamma   57.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSbSe2
_chemical_formula_sum   'Ag1 Sb1 Se2'
_cell_volume   95.35
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.5  0.0  0.24  1.0
  Se  Se2  1  0.12  0.0  0.91  1.0
  Se  Se3  1  0.88  0.0  0.56  1.0

data_AgSbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.17
_cell_length_c   6.87
_cell_angle_alpha   107.03
_cell_angle_beta   90.0
_cell_angle_gamma   118.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSbSe2
_chemical_formula_sum   'Ag1 Sb1 Se2'
_cell_volume   95.35
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.5  0.76  1.0
  Se  Se2  1  0.0  0.12  0.44  1.0
  Se  Se3  1  0.0  0.88  0.09  1.0

Ag Sb Se Se