data_[Si24Ni84Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1296]
_cell_length_b [11.1296]
_cell_length_c [11.1296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Si6Ni21Mo2]
_chemical_formula_sum '[Si24 Ni84 Mo8]'
_cell_volume [1378.5916]
_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
[
  Si  Si0  24  0.0000  0.0000  0.2651  1
  Ni  Ni1  48  0.0000  0.1755  0.1755  1
  Ni  Ni2  32  0.1222  0.3778  0.1222  1
  Ni  Ni3  4  0.0000  0.0000  0.0000  1
  Mo  Mo4  8  0.2500  0.2500  0.2500  1
]