data_[Li1Ce2Be4Si3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P-4m2]
_cell_length_a [3.9825]
_cell_length_b [3.9825]
_cell_length_c [9.4503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [LiCe2Be4Si3]
_chemical_formula_sum '[Li1 Ce2 Be4 Si3]'
_cell_volume [149.8826]
_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
[
  Li  Li0  1  0.5000  0.5000  0.5000  1
  Ce  Ce1  2  0.0000  0.5000  0.7574  1
  Be  Be2  2  0.0000  0.5000  0.3685  1
  Be  Be3  1  0.0000  0.0000  0.0000  1
  Be  Be4  1  0.5000  0.5000  0.0000  1
  Si  Si5  2  0.0000  0.5000  0.1310  1
  Si  Si6  1  0.0000  0.0000  0.5000  1
]