data_YCd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.06
_cell_angle_alpha   114.02
_cell_angle_beta   114.02
_cell_angle_gamma   44.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Ag
_chemical_formula_sum   'Y1 Cd2 Ag1'
_cell_volume   91.74
_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
  Cd  Cd1  1  0.7  0.0  0.26  1.0
  Cd  Cd2  1  0.01  0.0  0.28  1.0
  Ag  Ag0  1  0.86  0.0  0.27  1.0

data_YCd2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   5.06
_cell_length_c   5.37
_cell_angle_alpha   114.02
_cell_angle_beta   112.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Ag
_chemical_formula_sum   'Y1 Cd2 Ag1'
_cell_volume   91.74
_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
  Cd  Cd1  1  0.0  0.26  0.7  1.0
  Cd  Cd2  1  0.0  0.28  0.01  1.0
  Ag  Ag3  1  0.0  0.27  0.86  1.0

Y Cd Cd Ag
Y Cd Cd Ag 0 2 o o o 1 3 o o o 2 3 - o o 