data_[Rb2Nb6Cu2Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.4557]
_cell_length_b [9.4708]
_cell_length_c [9.4746]
_cell_angle_alpha [119.7089]
_cell_angle_beta [105.5774]
_cell_angle_gamma [95.7301]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbNb3CuCl9]
_chemical_formula_sum '[Rb2 Nb6 Cu2 Cl18]'
_cell_volume [681.8129]
_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
[
  Rb  Rb0  2  0.3346  0.2612  0.4753  1
  Nb  Nb1  2  0.1332  0.3429  0.8974  1
  Nb  Nb2  2  0.1379  0.5768  0.2506  1
  Nb  Nb3  2  0.1407  0.6965  0.0182  1
  Cu  Cu4  2  0.3682  0.9452  0.8133  1
  Cl  Cl5  2  0.0014  0.6429  0.7273  1
  Cl  Cl6  2  0.0052  0.7718  0.4153  1
  Cl  Cl7  2  0.0095  0.9170  0.1429  1
  Cl  Cl8  2  0.3032  0.1475  0.7649  1
  Cl  Cl9  2  0.3205  0.4054  0.1765  1
  Cl  Cl10  2  0.3212  0.5477  0.9019  1
  Cl  Cl11  2  0.3239  0.6768  0.5726  1
  Cl  Cl12  2  0.3282  0.8244  0.3192  1
  Cl  Cl13  2  0.3303  0.9528  0.0497  1
]