data_AlAg2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.84
_cell_angle_alpha   102.77
_cell_angle_beta   102.77
_cell_angle_gamma   38.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2Se
_chemical_formula_sum   'Al1 Ag2 Se1'
_cell_volume   76.65
_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
  Al  Al2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.26  0.0  0.23  1.0
  Ag  Ag1  1  0.21  0.0  0.45  1.0
  Se  Se3  1  0.73  0.0  0.84  1.0

data_AlAg2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.67
_cell_length_c   5.84
_cell_angle_alpha   102.77
_cell_angle_beta   90.0
_cell_angle_gamma   109.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2Se
_chemical_formula_sum   'Al1 Ag2 Se1'
_cell_volume   76.65
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.74  0.77  1.0
  Ag  Ag2  1  0.0  0.79  0.55  1.0
  Se  Se3  1  0.0  0.27  0.16  1.0

Al Ag Ag Se