data_CdSiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   3.17
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiB2
_chemical_formula_sum   'Cd1 Si1 B2'
_cell_volume   54.36
_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
  Cd  Cd2  1  0.32  0.59  0.44  1.0
  Si  Si3  1  0.0  0.0  0.37  1.0
  B  B0  1  0.32  0.59  0.07  1.0
  B  B1  1  0.0  0.0  0.85  1.0

data_CdSiB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   3.17
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiB2
_chemical_formula_sum   'Cd1 Si1 B2'
_cell_volume   54.36
_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
  Cd  Cd0  1  0.32  0.59  0.44  1.0
  Si  Si1  1  0.0  0.0  0.37  1.0
  B  B2  1  0.0  0.0  0.85  1.0
  B  B3  1  0.32  0.59  0.07  1.0

Cd Si B B