data_AlIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   127.03
_cell_angle_beta   127.03
_cell_angle_gamma   78.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIr2Cl
_chemical_formula_sum   'Al1 Ir2 Cl1'
_cell_volume   60.21
_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
  Ir  Ir2  1  0.0  0.05  0.79  1.0
  Ir  Ir3  1  0.05  0.0  0.79  1.0
  Cl  Cl1  1  0.0  0.0  0.57  1.0

data_AlIr2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   129.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlIr2Cl
_chemical_formula_sum   'Al2 Ir4 Cl2'
_cell_volume   120.43
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  4  0.24  0.03  0.27  1.0
  Cl  Cl2  2  0.43  0.0  0.43  1.0

Al Ir Ir Cl