data_[Mo10S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4866]
_cell_length_b [6.6888]
_cell_length_c [8.2600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.9785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mo5S8]
_chemical_formula_sum '[Mo10 S16]'
_cell_volume [464.3028]
_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
[
  Mo  Mo0  4  0.0000  0.2830  0.5000  1
  Mo  Mo1  4  0.2164  0.5000  0.4905  1
  Mo  Mo2  2  0.0000  0.0000  0.0000  1
  S  S3  8  0.0424  0.2404  0.2506  1
  S  S4  4  0.1933  0.0000  0.7084  1
  S  S5  4  0.2139  0.5000  0.7819  1
]