data_YScCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   134.66
_cell_angle_beta   134.66
_cell_angle_gamma   66.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScCd2
_chemical_formula_sum   'Y1 Sc1 Cd2'
_cell_volume   97.54
_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  0.24  0.0  0.43  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.87  1.0
  Cd  Cd1  1  0.0  0.24  0.43  1.0

data_YScCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.81
_cell_angle_alpha   112.67
_cell_angle_beta   112.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScCd2
_chemical_formula_sum   'Y1 Sc1 Cd2'
_cell_volume   97.54
_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  0.57  0.0  0.8  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.13  0.0  0.13  1.0
  Cd  Cd3  1  0.8  0.24  0.8  1.0

Y Sc Cd Cd