data_YAg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.93
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAg2Ir
_chemical_formula_sum   'Y1 Ag2 Ir1'
_cell_volume   77.7
_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  0.5  0.0  0.38  1.0
  Ag  Ag0  1  0.01  0.96  0.17  1.0
  Ag  Ag1  1  0.62  0.0  0.47  1.0
  Ir  Ir2  1  0.17  0.96  0.05  1.0

data_YAg2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.93
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAg2Ir
_chemical_formula_sum   'Y1 Ag2 Ir1'
_cell_volume   77.7
_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  0.5  0.0  0.38  1.0
  Ag  Ag1  1  0.01  0.96  0.17  1.0
  Ag  Ag2  1  0.62  0.0  0.47  1.0
  Ir  Ir3  1  0.17  0.96  0.05  1.0

Y Ag Ag Ir