data_YAs2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.1
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   99.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAs2Ir
_chemical_formula_sum   'Y1 As2 Ir1'
_cell_volume   80.3
_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  0.0  0.0  0.0  1.0
  As  As0  1  0.82  0.05  0.48  1.0
  As  As1  1  0.56  0.05  0.23  1.0
  Ir  Ir2  1  0.69  0.0  0.35  1.0

data_YAs2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.16
_cell_length_c   4.77
_cell_angle_alpha   99.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAs2Ir
_chemical_formula_sum   'Y1 As2 Ir1'
_cell_volume   80.3
_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  Y0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.95  0.18  0.52  1.0
  As  As2  1  0.95  0.44  0.77  1.0
  Ir  Ir3  1  0.0  0.31  0.65  1.0

Y As As Ir