data_[Cs1K2Rb7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.8896]
_cell_length_b [7.8896]
_cell_length_c [17.1660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CsK2Rb7]
_chemical_formula_sum '[Cs1 K2 Rb7]'
_cell_volume [925.3633]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.9345  1
  Rb  Rb1  1  0.0000  0.0000  0.2664  1
  Rb  Rb2  1  0.0000  0.0000  0.5890  1
  Rb  Rb3  1  0.3333  0.6667  0.0936  1
  Rb  Rb4  1  0.3333  0.6667  0.4380  1
  K  K5  1  0.3333  0.6667  0.7464  1
  Rb  Rb6  1  0.6667  0.3333  0.1180  1
  K  K7  1  0.6667  0.3333  0.3636  1
  Rb  Rb8  1  0.6667  0.3333  0.6095  1
  Rb  Rb9  1  0.6667  0.3333  0.8576  1
]