data_Ag2IrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2IrSe
_chemical_formula_sum   'Ag2 Ir1 Se1'
_cell_volume   71.33
_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  0.82  0.38  1.0
  Ag  Ag1  1  0.82  0.82  0.03  1.0
  Ir  Ir2  1  0.0  0.0  0.71  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Ag2IrSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2IrSe
_chemical_formula_sum   'Ag4 Ir2 Se2'
_cell_volume   142.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.32  0.5  0.03  1.0
  Ag  Ag1  2  0.32  0.5  0.38  1.0
  Ir  Ir2  2  0.0  0.0  0.71  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Ag Ag Ir Se
Ag Ag Ir Se 0 3 + + o 0 1 o o o 0 2 + + o 1 3 + + o 2 3 o o + 