data_YSiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.66
_cell_angle_alpha   110.16
_cell_angle_beta   110.16
_cell_angle_gamma   59.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiIr2
_chemical_formula_sum   'Y1 Si1 Ir2'
_cell_volume   75.45
_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  0.03  0.0  0.74  1.0
  Si  Si2  1  0.45  0.0  0.5  1.0
  Ir  Ir0  1  0.05  0.0  0.57  1.0
  Ir  Ir1  1  0.82  0.0  0.99  1.0

data_YSiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.11
_cell_length_c   5.66
_cell_angle_alpha   110.16
_cell_angle_beta   90.0
_cell_angle_gamma   119.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiIr2
_chemical_formula_sum   'Y1 Si1 Ir2'
_cell_volume   75.45
_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  0.97  0.26  1.0
  Si  Si1  1  0.0  0.55  0.5  1.0
  Ir  Ir2  1  0.0  0.18  0.01  1.0
  Ir  Ir3  1  0.0  0.95  0.43  1.0

Y Si Ir Ir