data_[Cs1Be8]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.2793]
_cell_length_b [7.2793]
_cell_length_c [6.5312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [CsBe8]
_chemical_formula_sum '[Cs1 Be8]'
_cell_volume [299.7093]
_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  0.5000  1
  Be  Be1  6  0.1669  0.3338  0.0000  1
  Be  Be2  2  0.3333  0.6667  0.0000  1
]