data_CdAgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   148.07
_cell_angle_beta   110.47
_cell_angle_gamma   78.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAgB2
_chemical_formula_sum   'Cd1 Ag1 B2'
_cell_volume   59.83
_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  Cd3  1  0.0  0.0  0.85  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.37  0.0  0.84  1.0
  B  B2  1  0.0  0.84  0.01  1.0

data_CdAgB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   69.53
_cell_angle_beta   74.03
_cell_angle_gamma   74.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAgB2
_chemical_formula_sum   'Cd1 Ag1 B2'
_cell_volume   59.83
_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  0.0  -0.0  0.85  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.0  0.63  0.84  1.0
  B  B3  1  0.84  0.0  0.18  1.0

Cd Ag B B