data_[Si8Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5601]
_cell_length_b [4.5476]
_cell_length_c [5.3207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SiMo]
_chemical_formula_sum '[Si8 Mo8]'
_cell_volume [231.3210]
_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
[
  Si  Si0  4  0.0719  0.7500  0.4971  1
  Si  Si1  4  0.1655  0.2500  0.2229  1
  Mo  Mo2  4  0.0900  0.7500  0.9865  1
  Mo  Mo3  4  0.1696  0.2500  0.7145  1
]