data_[Ce6Be4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8926]
_cell_length_b [3.9691]
_cell_length_c [8.2016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3(BeSi2)2]
_chemical_formula_sum '[Ce6 Be4 Si8]'
_cell_volume [328.4281]
_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
[
  Ce  Ce0  4  0.1039  0.5000  0.6706  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1813  0.5000  0.3144  1.0
  Si  Si3  4  0.1288  0.0000  0.4043  1.0
  Si  Si4  4  0.2269  0.5000  0.0642  1.0
]