data_YCuAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuAg2
_chemical_formula_sum   'Y1 Cu1 Ag2'
_cell_volume   76.31
_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  0.31  0.0  0.82  1.0
  Cu  Cu2  1  0.0  0.0  0.6  1.0
  Ag  Ag0  1  0.0  0.0  0.57  1.0
  Ag  Ag1  1  0.31  0.0  0.95  1.0

data_YCuAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuAg2
_chemical_formula_sum   'Y1 Cu1 Ag2'
_cell_volume   76.31
_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  0.31  0.0  0.82  1.0
  Cu  Cu1  1  0.0  0.0  0.6  1.0
  Ag  Ag2  1  0.0  0.0  0.57  1.0
  Ag  Ag3  1  0.31  0.0  0.95  1.0

Y Cu Ag Ag
Y Cu Ag Ag 0 3 o o o 1 2 o o o 