data_YMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.54
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnCd2
_chemical_formula_sum   'Y1 Mn1 Cd2'
_cell_volume   87.69
_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  0.61  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.71  0.77  0.7  1.0
  Cd  Cd1  1  0.71  0.77  0.53  1.0

data_YMnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.54
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnCd2
_chemical_formula_sum   'Y1 Mn1 Cd2'
_cell_volume   87.69
_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  0.61  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.71  0.77  0.53  1.0
  Cd  Cd3  1  0.71  0.77  0.7  1.0

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