data_Ag2As2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   153.57
_cell_angle_beta   153.57
_cell_angle_gamma   37.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2As2Ir
_chemical_formula_sum   'Ag2 As2 Ir1'
_cell_volume   95.65
_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
  Ag  Ag0  1  0.0  0.0  0.8  1.0
  Ag  Ag1  1  0.0  0.0  0.05  1.0
  As  As2  1  0.0  0.79  0.71  1.0
  As  As3  1  0.79  0.0  0.71  1.0
  Ir  Ir4  1  0.0  0.0  0.0  1.0

data_Ag2As2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   108.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2As2Ir
_chemical_formula_sum   'Ag4 As4 Ir2'
_cell_volume   191.3
_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  0.05  0.0  0.05  1.0
  Ag  Ag1  2  0.3  0.5  0.8  1.0
  As  As2  4  0.32  0.4  0.92  1.0
  Ir  Ir3  2  0.0  0.0  0.0  1.0

Ag Ag As As Ir