data_[Li3Mg1Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0708]
_cell_length_b [4.7949]
_cell_length_c [8.3366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Li3MgTl2]
_chemical_formula_sum '[Li3 Mg1 Tl2]'
_cell_volume [122.7523]
_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  0.0000  0.1551  1
  Li  Li1  1  0.5000  0.0000  0.8340  1
  Li  Li2  1  0.5000  0.5000  0.6760  1
  Mg  Mg3  1  0.5000  0.5000  0.3321  1
  Tl  Tl4  1  0.0000  0.0000  0.5085  1
  Tl  Tl5  1  0.0000  0.5000  0.9942  1
]