data_Cd2BAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   42.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BAu
_chemical_formula_sum   'Cd2 B1 Au1'
_cell_volume   71.61
_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  0.61  0.0  0.1  1.0
  Cd  Cd3  1  0.0  0.0  0.65  1.0
  B  B1  1  0.0  0.0  0.09  1.0
  Au  Au0  1  0.61  0.0  0.57  1.0

data_Cd2BAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.16
_cell_length_c   5.75
_cell_angle_alpha   111.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BAu
_chemical_formula_sum   'Cd2 B1 Au1'
_cell_volume   71.61
_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  0.65  0.65  1.0
  Cd  Cd1  1  0.39  0.1  0.1  1.0
  B  B2  1  0.0  0.09  0.09  1.0
  Au  Au3  1  0.39  0.57  0.57  1.0

Cd Cd B Au