data_[K1Li2Nb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2059]
_cell_length_b [8.9911]
_cell_length_c [6.3226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KLi2NbCl8]
_chemical_formula_sum '[K1 Li2 Nb1 Cl8]'
_cell_volume [345.8721]
_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  1  0.0000  0.5000  0.0000  1.0
  Li  Li1  2  0.5000  0.3366  0.5000  1.0
  Nb  Nb2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2280  0.1892  0.2000  1.0
  Cl  Cl4  2  0.2233  0.0000  0.7432  1.0
  Cl  Cl5  2  0.3191  0.5000  0.6775  1.0
]