data_[Cs6Be6Zn9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2035]
_cell_length_b [4.2035]
_cell_length_c [38.5535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2Be2Zn3]
_chemical_formula_sum '[Cs6 Be6 Zn9]'
_cell_volume [589.9566]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2664  1
  Cs  Cs1  3  0.0000  0.0000  0.8183  1
  Be  Be2  3  0.0000  0.0000  0.0128  1
  Be  Be3  3  0.0000  0.0000  0.4174  1
  Zn  Zn4  3  0.0000  0.0000  0.0763  1
  Zn  Zn5  3  0.0000  0.0000  0.3575  1
  Zn  Zn6  3  0.0000  0.0000  0.6762  1
]