data_YMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   122.65
_cell_angle_beta   122.65
_cell_angle_gamma   85.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnCd2
_chemical_formula_sum   'Y1 Mn1 Cd2'
_cell_volume   86.41
_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
  Y  Y3  1  0.42  0.0  0.85  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.7  1.0
  Cd  Cd1  1  0.0  0.42  0.85  1.0

data_YMnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.04
_cell_angle_alpha   118.68
_cell_angle_beta   118.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnCd2
_chemical_formula_sum   'Y1 Mn1 Cd2'
_cell_volume   86.41
_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
  Y  Y0  1  0.15  0.0  0.57  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.3  0.0  0.3  1.0
  Cd  Cd3  1  0.57  0.42  0.57  1.0

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