data_YMn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   141.53
_cell_angle_beta   126.77
_cell_angle_gamma   67.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Cd
_chemical_formula_sum   'Y1 Mn2 Cd1'
_cell_volume   72.47
_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  0.24  1.0
  Mn  Mn1  1  0.0  0.0  0.46  1.0
  Mn  Mn2  1  0.74  0.0  0.72  1.0
  Cd  Cd0  1  0.0  0.37  0.37  1.0

data_YMn2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.74
_cell_length_c   5.29
_cell_angle_alpha   116.62
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Cd
_chemical_formula_sum   'Y1 Mn2 Cd1'
_cell_volume   72.47
_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  0.76  0.76  0.76  1.0
  Mn  Mn1  1  0.02  0.28  0.02  1.0
  Mn  Mn2  1  0.54  0.54  0.54  1.0
  Cd  Cd3  1  0.63  0.0  0.0  1.0

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