data_Cd2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   146.83
_cell_angle_beta   132.83
_cell_angle_gamma   58.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BMo
_chemical_formula_sum   'Cd2 B1 Mo1'
_cell_volume   69.82
_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  Cd1  1  0.0  0.24  0.53  1.0
  Cd  Cd2  1  0.0  0.0  0.66  1.0
  B  B0  1  0.0  0.0  0.81  1.0
  Mo  Mo3  1  0.0  0.24  0.63  1.0

data_Cd2BMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.48
_cell_length_c   5.6
_cell_angle_alpha   113.59
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BMo
_chemical_formula_sum   'Cd2 B1 Mo1'
_cell_volume   69.82
_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  0.34  0.34  0.34  1.0
  Cd  Cd1  1  0.47  0.71  0.71  1.0
  B  B2  1  0.19  0.19  0.19  1.0
  Mo  Mo3  1  0.37  0.61  0.61  1.0

Cd Cd B Mo
Cd Cd B Mo 0 3 o o o 1 2 o o o 