data_[Al2Cd4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5804]
_cell_length_b [2.8842]
_cell_length_c [5.4055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlCd2Mo]
_chemical_formula_sum '[Al2 Cd4 Mo2]'
_cell_volume [147.0683]
_cell_formula_units_Z [2]
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  2  0.2556  0.5000  0.2949  1
  Cd  Cd1  2  0.0033  0.0000  0.9884  1
  Cd  Cd2  2  0.2459  0.0000  0.7490  1
  Mo  Mo3  2  0.4952  0.0000  0.4677  1
]