data_AlCdMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   143.06
_cell_angle_beta   131.49
_cell_angle_gamma   62.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdMo2
_chemical_formula_sum   'Al1 Cd1 Mo2'
_cell_volume   66.42
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.53  1.0
  Mo  Mo2  1  0.0  0.18  0.33  1.0
  Mo  Mo3  1  0.68  0.0  0.21  1.0

data_AlCdMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.36
_cell_length_c   5.3
_cell_angle_alpha   114.26
_cell_angle_beta   108.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdMo2
_chemical_formula_sum   'Al1 Cd1 Mo2'
_cell_volume   66.42
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.53  0.53  1.0
  Mo  Mo2  1  0.0  0.21  0.53  1.0
  Mo  Mo3  1  0.82  0.15  0.15  1.0

Al Cd Mo Mo
Al Cd Mo Mo 0 2 o o o 1 3 - o o 