data_YCd2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   149.03
_cell_angle_beta   136.62
_cell_angle_gamma   54.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2B
_chemical_formula_sum   'Y1 Cd2 B1'
_cell_volume   80.47
_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  0.45  1.0
  Cd  Cd1  1  0.0  0.26  0.26  1.0
  Cd  Cd2  1  0.63  0.0  0.19  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_YCd2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.52
_cell_length_c   6.12
_cell_angle_alpha   111.69
_cell_angle_beta   105.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2B
_chemical_formula_sum   'Y1 Cd2 B1'
_cell_volume   80.47
_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  0.55  0.55  0.55  1.0
  Cd  Cd1  1  0.45  0.81  0.45  1.0
  Cd  Cd2  1  0.74  0.0  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Y Cd Cd B