data_[Li1Ti1Be10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5011]
_cell_length_b [4.3220]
_cell_length_c [7.5281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [LiTiBe10]
_chemical_formula_sum '[Li1 Ti1 Be10]'
_cell_volume [113.9135]
_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  0.0000  0.5000  0.5000  1
  Ti  Ti1  1  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.5000  0.2396  0.2393  1
  Be  Be3  2  0.0000  0.0000  0.3354  1
  Be  Be4  2  0.0000  0.5000  0.1750  1
  Be  Be5  1  0.5000  0.0000  0.5000  1
  Be  Be6  1  0.5000  0.5000  0.0000  1
]