data_[Cd8Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2903]
_cell_length_b [2.8396]
_cell_length_c [7.3421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd2Mo]
_chemical_formula_sum '[Cd8 Mo4]'
_cell_volume [227.7544]
_cell_formula_units_Z [4]
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  2  0.1594  0.5000  0.3296  1
  Cd  Cd1  2  0.3400  0.0000  0.6665  1
  Cd  Cd2  2  0.3878  0.0000  0.2827  1
  Cd  Cd3  2  0.4944  0.5000  0.9924  1
  Mo  Mo4  2  0.0702  0.0000  0.6280  1
  Mo  Mo5  2  0.2148  0.5000  0.9342  1
]