data_[Li2Mg2Tl4]
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 [Cm]
_cell_length_a [10.8624]
_cell_length_b [3.6331]
_cell_length_c [5.0089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiMgTl2]
_chemical_formula_sum '[Li2 Mg2 Tl4]'
_cell_volume [191.9952]
_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  0.0029  0.5000  0.5448  1.0
  Mg  Mg1  2  0.2499  0.5000  0.2087  1.0
  Tl  Tl2  2  0.0042  0.0000  0.0484  1.0
  Tl  Tl3  2  0.2429  0.0000  0.6981  1.0
]