data_[Li4Ce4Tm2Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.4592]
_cell_length_b [11.4592]
_cell_length_c [3.7788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2Ce2TmTl5]
_chemical_formula_sum '[Li4 Ce4 Tm2 Tl10]'
_cell_volume [496.2069]
_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  0.1225  0.3775  0.0000  1.0
  Ce  Ce1  4  0.1751  0.6751  0.0000  1.0
  Tm  Tm2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  8  0.0669  0.2109  0.5000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.5000  1.0
]