data_[Li1Be1Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6063]
_cell_length_b [4.6117]
_cell_length_c [5.2079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiBeTl2]
_chemical_formula_sum '[Li1 Be1 Tl2]'
_cell_volume [84.3764]
_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  0.3468  0.5000  0.7397  1
  Be  Be1  1  0.9324  0.0000  0.4763  1
  Tl  Tl2  1  0.0407  0.0000  0.9821  1
  Tl  Tl3  1  0.6801  0.5000  0.3019  1
]