data_[Cs16Rb6As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [15.3919]
_cell_length_b [15.3919]
_cell_length_c [10.9259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Cs8Rb3As]
_chemical_formula_sum '[Cs16 Rb6 As2]'
_cell_volume [2241.6650]
_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
[
  Cs  Cs0  6  0.0717  0.5359  0.4934  1
  Cs  Cs1  6  0.2239  0.4479  0.7775  1
  Cs  Cs2  2  0.0000  0.0000  0.4747  1
  Cs  Cs3  2  0.3333  0.6667  0.2411  1
  Rb  Rb4  6  0.1516  0.3033  0.2218  1
  As  As5  2  0.3333  0.6667  0.5790  1
]