data_[Li6Mg3Tl2]
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 [P2/m]
_cell_length_a [8.5657]
_cell_length_b [3.2343]
_cell_length_c [9.0302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li6Mg3Tl2]
_chemical_formula_sum '[Li6 Mg3 Tl2]'
_cell_volume [228.1572]
_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  2  0.0678  0.5000  0.3898  1
  Li  Li1  2  0.3974  0.5000  0.0837  1
  Li  Li2  2  0.4007  0.5000  0.5882  1
  Mg  Mg3  2  0.2445  0.0000  0.7805  1
  Mg  Mg4  1  0.0000  0.5000  0.0000  1
  Tl  Tl5  2  0.2775  0.0000  0.2795  1
]