data_[K2Rb1Nb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  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 [5.7259]
_cell_length_b [7.8049]
_cell_length_c [9.8290]
_cell_angle_alpha [89.2439]
_cell_angle_beta [84.9038]
_cell_angle_gamma [73.6401]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2RbNbCl8]
_chemical_formula_sum '[K2 Rb1 Nb1 Cl8]'
_cell_volume [419.7716]
_cell_formula_units_Z [1]
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
[
  K  K0  2  0.3674  0.5035  0.7209  1
  Rb  Rb1  1  0.0000  0.0000  0.5000  1
  Nb  Nb2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.1439  0.1580  0.1652  1
  Cl  Cl4  2  0.2189  0.1112  0.8203  1
  Cl  Cl5  2  0.3421  0.7419  0.0182  1
  Cl  Cl6  2  0.4286  0.2660  0.4754  1
]