data_[Li2Mg4Tl2]
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 [Pmn2_1]
_cell_length_a [4.9891]
_cell_length_b [5.5218]
_cell_length_c [6.2415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiMg2Tl]
_chemical_formula_sum '[Li2 Mg4 Tl2]'
_cell_volume [171.9437]
_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  0.0000  0.3325  0.7143  1
  Mg  Mg1  2  0.0000  0.3490  0.2180  1
  Mg  Mg2  2  0.0000  0.8496  0.4650  1
  Tl  Tl3  2  0.0000  0.8238  0.9657  1
]