data_AgIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37
_cell_length_b   8.37
_cell_length_c   8.37
_cell_angle_alpha   152.87
_cell_angle_beta   152.87
_cell_angle_gamma   38.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgIr3
_chemical_formula_sum   'Ag2 Ir6'
_cell_volume   121.63
_cell_formula_units_Z   2
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  0.93  1.0
  Ag  Ag1  1  0.0  0.0  0.86  1.0
  Ir  Ir2  1  0.0  0.96  0.0  1.0
  Ir  Ir3  1  0.0  0.0  1.0  1.0
  Ir  Ir4  1  0.0  0.0  0.79  1.0
  Ir  Ir5  1  0.0  0.96  0.95  1.0
  Ir  Ir6  1  0.96  0.0  0.95  1.0
  Ir  Ir7  1  0.96  0.0  0.0  1.0

data_AgIr3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   109.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgIr3
_chemical_formula_sum   'Ag4 Ir12'
_cell_volume   243.26
_cell_formula_units_Z   4
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  0.0  0.0  0.07  1.0
  Ag  Ag1  2  0.0  0.0  0.14  1.0
  Ir  Ir2  4  0.48  0.48  0.02  1.0
  Ir  Ir3  4  0.48  0.48  0.96  1.0
  Ir  Ir4  2  0.0  0.0  0.0  1.0
  Ir  Ir5  2  0.0  0.0  0.21  1.0

Ag Ag Ir Ir Ir Ir Ir Ir