data_[Nb2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8726]
_cell_length_b [7.4148]
_cell_length_c [9.8799]
_cell_angle_alpha [109.8630]
_cell_angle_beta [90.7219]
_cell_angle_gamma [116.2230]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NbCl5]
_chemical_formula_sum '[Nb2 Cl10]'
_cell_volume [416.8060]
_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
[
  Nb  Nb0  2  0.1000  0.2100  0.2125  1.0
  Cl  Cl1  2  0.0704  0.8259  0.5936  1.0
  Cl  Cl2  2  0.1041  0.6447  0.8572  1.0
  Cl  Cl3  2  0.2172  0.1652  0.9601  1.0
  Cl  Cl4  2  0.2796  0.0153  0.2352  1.0
  Cl  Cl5  2  0.4115  0.5401  0.3161  1.0
]