data_Ir2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   140.19
_cell_angle_beta   140.19
_cell_angle_gamma   57.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2SeCl
_chemical_formula_sum   'Ir2 Se1 Cl1'
_cell_volume   64.77
_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  Ir1  1  0.85  0.0  0.38  1.0
  Ir  Ir2  1  0.0  0.0  0.75  1.0
  Se  Se3  1  0.0  0.85  0.38  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ir2SeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   5.42
_cell_angle_alpha   109.9
_cell_angle_beta   109.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2SeCl
_chemical_formula_sum   'Ir2 Se1 Cl1'
_cell_volume   64.77
_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  Ir0  1  0.25  0.0  0.25  1.0
  Ir  Ir1  1  0.62  0.0  0.47  1.0
  Se  Se2  1  0.47  0.85  0.47  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ir Ir Se Cl