data_YFeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   3.09
_cell_angle_alpha   92.25
_cell_angle_beta   92.25
_cell_angle_gamma   108.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeCu2
_chemical_formula_sum   'Y1 Fe1 Cu2'
_cell_volume   64.1
_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  0.74  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.27  0.1  0.54  1.0
  Cu  Cu1  1  0.27  0.9  0.54  1.0

data_YFeCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   108.35
_cell_angle_beta   92.25
_cell_angle_gamma   92.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeCu2
_chemical_formula_sum   'Y1 Fe1 Cu2'
_cell_volume   64.1
_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  0.74  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.54  0.27  0.9  1.0
  Cu  Cu3  1  0.54  0.27  0.1  1.0

Y Fe Cu Cu