data_[Rb2Nb2Cu4Cl16]
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 [C2/m]
_cell_length_a [12.4825]
_cell_length_b [6.8740]
_cell_length_c [8.3937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbNb(CuCl4)2]
_chemical_formula_sum '[Rb2 Nb2 Cu4 Cl16]'
_cell_volume [713.7213]
_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  0.0000  0.0000  0.5000  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0282  0.5000  0.3285  1.0
  Cl  Cl3  8  0.0833  0.2502  0.1771  1.0
  Cl  Cl4  4  0.1353  0.5000  0.5826  1.0
  Cl  Cl5  4  0.1520  0.0000  0.8602  1.0
]