data_[Li1La2Be3Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  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 [4.1249]
_cell_length_b [4.1249]
_cell_length_c [9.7258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [LiLa2Be3Si4]
_chemical_formula_sum '[Li1 La2 Be3 Si4]'
_cell_volume [165.4833]
_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  1.0
  La  La1  2  0.0000  0.5000  0.7529  1.0
  Be  Be2  2  0.0000  0.5000  0.1242  1.0
  Be  Be3  1  0.0000  0.0000  0.5000  1.0
  Si  Si4  2  0.0000  0.5000  0.3626  1.0
  Si  Si5  1  0.0000  0.0000  0.0000  1.0
  Si  Si6  1  0.5000  0.5000  0.0000  1.0
]