data_YIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   4.0
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   97.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIrCl2
_chemical_formula_sum   'Y1 Ir1 Cl2'
_cell_volume   97.8
_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
  Y  Y3  1  0.33  0.0  0.44  1.0
  Ir  Ir2  1  0.23  1.0  0.72  1.0
  Cl  Cl0  1  0.83  1.0  1.0  1.0
  Cl  Cl1  1  0.89  0.0  0.06  1.0

data_YIrCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.77
_cell_length_b   4.0
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   97.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YIrCl2
_chemical_formula_sum   'Y1 Ir1 Cl2'
_cell_volume   97.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Y  Y0  1  0.33  0.0  0.44  1.0
  Ir  Ir1  1  0.23  0.0  0.72  1.0
  Cl  Cl2  1  0.83  0.0  1.0  1.0
  Cl  Cl3  1  0.89  0.0  0.06  1.0

Y Ir Cl Cl
Y Ir Cl Cl 0 1 o - o 2 3 o + + 