data_SrY2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   131.66
_cell_angle_beta   131.66
_cell_angle_gamma   70.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Cd
_chemical_formula_sum   'Sr1 Y2 Cd1'
_cell_volume   128.41
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.53  0.0  0.52  1.0
  Y  Y3  1  0.0  0.0  0.03  1.0
  Cd  Cd0  1  0.0  0.53  0.52  1.0

data_SrY2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.17
_cell_angle_alpha   114.17
_cell_angle_beta   114.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Cd
_chemical_formula_sum   'Sr1 Y2 Cd1'
_cell_volume   128.41
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.03  0.03  0.03  1.0
  Y  Y2  1  0.52  0.99  0.99  1.0
  Cd  Cd3  1  0.99  0.52  0.99  1.0

Sr Y Y Cd
Sr Y Y Cd 0 2 o o o 0 1 o o o 0 1 - o - 0 3 o - - 0 3 o o o 1 2 o o o 1 2 + o + 2 3 o - - 2 3 o o o 