data_[Co24Mo16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.2714]
_cell_length_b [11.9989]
_cell_length_c [5.0672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Co3Mo2]
_chemical_formula_sum '[Co24 Mo16]'
_cell_volume [502.9138]
_cell_formula_units_Z [8]
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
[
  Co  Co0  16  0.0538  0.1088  0.3719  1
  Co  Co1  8  0.0000  0.0000  0.9954  1
  Mo  Mo2  16  0.0652  0.1975  0.8804  1
]