data_[Li2Mg2Tl2]
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 [P-1]
_cell_length_a [5.3109]
_cell_length_b [5.3347]
_cell_length_c [6.0452]
_cell_angle_alpha [85.8394]
_cell_angle_beta [64.7455]
_cell_angle_gamma [60.2217]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMgTl]
_chemical_formula_sum '[Li2 Mg2 Tl2]'
_cell_volume [132.3140]
_cell_formula_units_Z [2]
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  2  0.1747  0.0850  0.7475  1.0
  Mg  Mg1  2  0.4984  0.5787  0.2457  1.0
  Tl  Tl2  2  0.1556  0.2465  0.2535  1.0
]