data_[Li24Tl4Cd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1042]
_cell_length_b [9.7635]
_cell_length_c [4.9914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li12Tl2Cd5]
_chemical_formula_sum '[Li24 Tl4 Cd10]'
_cell_volume [721.1167]
_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  8  0.1008  0.2449  0.5921  1
  Li  Li1  8  0.1986  0.2498  0.1955  1
  Li  Li2  4  0.0623  0.5000  0.2754  1
  Li  Li3  4  0.1138  0.0000  0.0402  1
  Tl  Tl4  4  0.0000  0.2435  0.0000  1
  Cd  Cd5  4  0.1745  0.5000  0.8384  1
  Cd  Cd6  4  0.2164  0.0000  0.5960  1
  Cd  Cd7  2  0.0000  0.0000  0.5000  1
]