data_[Ce2Y12Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3642]
_cell_length_b [11.3648]
_cell_length_c [6.2423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeY6Tl5]
_chemical_formula_sum '[Ce2 Y12 Tl10]'
_cell_volume [713.8536]
_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  2  0.0000  0.0000  0.0000  1
  Y  Y1  8  0.2290  0.3245  0.7383  1
  Y  Y2  4  0.2262  0.5000  0.2317  1
  Tl  Tl3  4  0.0000  0.1420  0.5000  1
  Tl  Tl4  4  0.0000  0.3046  0.0000  1
  Tl  Tl5  2  0.0000  0.5000  0.5000  1
]