data_[Mo8W8Cl28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1235]
_cell_length_b [9.3690]
_cell_length_c [12.8134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mo2W2Cl7]
_chemical_formula_sum '[Mo8 W8 Cl28]'
_cell_volume [1167.5300]
_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
[
  Mo  Mo0  8  0.1779  0.3579  0.0446  1
  W  W1  8  0.1603  0.3171  0.8534  1
  Cl  Cl2  8  0.0739  0.4168  0.6336  1
  Cl  Cl3  8  0.1198  0.2173  0.1849  1
  Cl  Cl4  8  0.2263  0.0345  0.5553  1
  Cl  Cl5  4  0.0000  0.1384  0.7500  1
]