data_Y2MnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.54
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   94.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnCd
_chemical_formula_sum   'Y2 Mn1 Cd1'
_cell_volume   89.61
_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  Y2  1  0.48  0.77  0.58  1.0
  Y  Y3  1  0.34  0.77  0.79  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.69  0.0  0.68  1.0

data_Y2MnCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.54
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   94.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnCd
_chemical_formula_sum   'Y2 Mn1 Cd1'
_cell_volume   89.61
_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  0.34  0.77  0.79  1.0
  Y  Y1  1  0.48  0.77  0.58  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.69  0.0  0.68  1.0

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