data_[Mo2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6432]
_cell_length_b [7.1139]
_cell_length_c [9.5834]
_cell_angle_alpha [109.7093]
_cell_angle_beta [90.5286]
_cell_angle_gamma [116.5091]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MoCl5]
_chemical_formula_sum '[Mo2 Cl10]'
_cell_volume [374.6171]
_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  2  0.0983  0.7078  0.7113  1.0
  Cl  Cl1  2  0.0627  0.3203  0.0836  1.0
  Cl  Cl2  2  0.1151  0.1480  0.3566  1.0
  Cl  Cl3  2  0.2243  0.6785  0.4596  1.0
  Cl  Cl4  2  0.2862  0.5129  0.7310  1.0
  Cl  Cl5  2  0.4096  0.0535  0.8303  1.0
]