data_[Li4Tm10Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5992]
_cell_length_b [5.0030]
_cell_length_c [14.7011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2(TmTl)5]
_chemical_formula_sum '[Li4 Tm10 Tl10]'
_cell_volume [619.9771]
_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  0.0655  0.0000  0.2083  1.0
  Tm  Tm1  4  0.1930  0.5000  0.0851  1.0
  Tm  Tm2  4  0.2274  0.0000  0.6714  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl4  4  0.1012  0.5000  0.7911  1.0
  Tl  Tl5  4  0.1369  0.0000  0.4172  1.0
  Tl  Tl6  2  0.0000  0.0000  0.0000  1.0
]