data_[Ce8Tl2In2]
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 [Imm2]
_cell_length_a [3.2790]
_cell_length_b [6.0487]
_cell_length_c [16.0004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ce4TlIn]
_chemical_formula_sum '[Ce8 Tl2 In2]'
_cell_volume [317.3451]
_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  4  0.0000  0.2332  0.4604  1
  Ce  Ce1  2  0.0000  0.0000  0.2784  1
  Ce  Ce2  2  0.0000  0.5000  0.6259  1
  Tl  Tl3  2  0.0000  0.0000  0.8001  1
  In  In4  2  0.0000  0.5000  0.1248  1
]