data_Y2ZnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   4.65
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   99.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnCu
_chemical_formula_sum   'Y2 Zn1 Cu1'
_cell_volume   90.4
_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  Y1  1  0.71  0.32  0.8  1.0
  Y  Y2  1  0.53  0.0  0.88  1.0
  Zn  Zn3  1  0.78  0.32  0.45  1.0
  Cu  Cu0  1  0.84  0.0  0.15  1.0

data_Y2ZnCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.65
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   99.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnCu
_chemical_formula_sum   'Y2 Zn1 Cu1'
_cell_volume   90.4
_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  0.53  0.0  0.88  1.0
  Y  Y1  1  0.71  0.32  0.8  1.0
  Zn  Zn2  1  0.78  0.32  0.45  1.0
  Cu  Cu3  1  0.84  0.0  0.15  1.0

Y Y Zn Cu
Y Y Zn Cu 0 1 o o o 0 2 o o o 1 3 o o + 2 3 o o o 