data_YCu2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.12
_cell_angle_alpha   112.43
_cell_angle_beta   112.43
_cell_angle_gamma   46.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCu2Ir
_chemical_formula_sum   'Y1 Cu2 Ir1'
_cell_volume   65.22
_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
  Cu  Cu0  1  0.95  0.0  0.67  1.0
  Cu  Cu1  1  0.29  0.0  0.08  1.0
  Ir  Ir2  1  0.62  0.0  0.87  1.0

data_YCu2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.12
_cell_length_c   4.88
_cell_angle_alpha   112.43
_cell_angle_beta   113.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCu2Ir
_chemical_formula_sum   'Y1 Cu2 Ir1'
_cell_volume   65.22
_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
  Cu  Cu1  1  0.0  0.08  0.29  1.0
  Cu  Cu2  1  0.0  0.67  0.95  1.0
  Ir  Ir3  1  0.0  0.87  0.62  1.0

Y Cu Cu Ir