data_[Li1Mg1Tl6]
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 [5.8246]
_cell_length_b [6.2621]
_cell_length_c [6.2951]
_cell_angle_alpha [95.4674]
_cell_angle_beta [93.4036]
_cell_angle_gamma [92.3957]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMgTl6]
_chemical_formula_sum '[Li1 Mg1 Tl6]'
_cell_volume [227.9015]
_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  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0390  0.7562  0.5517  1.0
  Tl  Tl3  2  0.2452  0.4452  0.9939  1.0
  Tl  Tl4  2  0.4567  0.9680  0.2438  1.0
]