data_[Ce12Tl2In10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7953]
_cell_length_b [9.4969]
_cell_length_c [14.3872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce6TlIn5]
_chemical_formula_sum '[Ce12 Tl2 In10]'
_cell_volume [655.1991]
_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
[
  Ce  Ce0  8  0.0000  0.2502  0.1668  1
  Ce  Ce1  4  0.0000  0.2495  0.5000  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  In  In3  4  0.0000  0.0000  0.3335  1
  In  In4  4  0.0000  0.5000  0.3306  1
  In  In5  2  0.0000  0.5000  0.0000  1
]