data_[K1Rb3Ni2Cl9]
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
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.0589]
_cell_length_b [7.0589]
_cell_length_c [9.7590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [KRb3Ni2Cl9]
_chemical_formula_sum '[K1 Rb3 Ni2 Cl9]'
_cell_volume [421.1303]
_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
[
  Rb  Rb0  2  0.3333  0.6667  0.7232  1
  Rb  Rb1  1  0.0000  0.0000  0.0000  1
  K  K2  1  0.0000  0.0000  0.5000  1
  Ni  Ni3  2  0.3333  0.6667  0.1514  1
  Cl  Cl4  6  0.1778  0.3555  0.2815  1
  Cl  Cl5  3  0.0000  0.5000  0.0000  1
]