data_YIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   35.39
_cell_angle_beta   35.39
_cell_angle_gamma   35.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIr
_chemical_formula_sum   'Y2 Ir2'
_cell_volume   106.51
_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
  Y  Y2  1  0.0  0.0  0.74  1.0
  Y  Y3  1  0.0  0.0  0.16  1.0
  Ir  Ir0  1  0.0  0.0  0.28  1.0
  Ir  Ir1  1  0.0  0.0  0.62  1.0

data_YIr
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   7.46
_cell_length_b   4.31
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   110.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   YIr
_chemical_formula_sum   'Y4 Ir4'
_cell_volume   213.03
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Y  Y0  4  0.0  0.0  0.21  1.0
  Ir  Ir1  4  -0.0  0.0  0.33  1.0

Y Y Ir Ir