data_IrOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrOsCl2
_chemical_formula_sum   'Ir1 Os1 Cl2'
_cell_volume   71.74
_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
  Ir  Ir2  1  0.4  0.0  0.71  1.0
  Os  Os3  1  0.0  0.0  0.5  1.0
  Cl  Cl0  1  0.4  0.0  0.53  1.0
  Cl  Cl1  1  0.0  0.0  0.8  1.0

data_IrOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.99
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrOsCl2
_chemical_formula_sum   'Ir1 Os1 Cl2'
_cell_volume   71.74
_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
  Os  Os0  1  0.0  0.0  0.5  1.0
  Ir  Ir1  1  0.0  0.4  0.71  1.0
  Cl  Cl2  1  0.0  0.0  0.8  1.0
  Cl  Cl3  1  0.0  0.4  0.53  1.0

Ir Os Cl Cl