data_SrCd2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   146.57
_cell_angle_beta   128.67
_cell_angle_gamma   62.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCd2B
_chemical_formula_sum   'Sr1 Cd2 B1'
_cell_volume   91.33
_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
  Sr  Sr3  1  0.0  0.0  0.11  1.0
  Cd  Cd1  1  0.72  0.0  0.94  1.0
  Cd  Cd2  1  0.0  0.59  0.17  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_SrCd2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.19
_cell_length_c   5.99
_cell_angle_alpha   115.66
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCd2B
_chemical_formula_sum   'Sr1 Cd2 B1'
_cell_volume   91.33
_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
  Sr  Sr0  1  0.0  0.11  0.11  1.0
  Cd  Cd1  1  0.0  0.94  0.22  1.0
  Cd  Cd2  1  0.41  0.58  0.58  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Sr Cd Cd B
Sr Cd Cd B 0 3 o o o 0 1 - o - 0 2 o - o 0 2 o o o 1 3 + o + 1 2 + o + 1 2 + - + 1 2 o - o 2 3 o + o 2 3 o + + 2 3 o o o 2 2 o + + 