data_[Li4Mg10Tl24]
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 [C2/m]
_cell_length_a [15.6164]
_cell_length_b [8.7556]
_cell_length_c [7.7215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Mg5Tl12]
_chemical_formula_sum '[Li4 Mg10 Tl24]'
_cell_volume [1040.5693]
_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  4  0.0000  0.2966  0.0000  1
  Mg  Mg1  4  0.1663  0.5000  0.0879  1
  Mg  Mg2  4  0.2389  0.5000  0.7142  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Tl  Tl4  8  0.1455  0.2868  0.4068  1
  Tl  Tl5  8  0.1585  0.1862  0.8459  1
  Tl  Tl6  4  0.0345  0.5000  0.7087  1
  Tl  Tl7  4  0.0674  0.0000  0.1676  1
]