data_[Ce4Y6Tl6]
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 [23.1101]
_cell_length_b [3.7158]
_cell_length_c [5.3794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2(YTl)3]
_chemical_formula_sum '[Ce4 Y6 Tl6]'
_cell_volume [452.4102]
_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  0.2429  0.0000  0.1828  1.0
  Y  Y1  4  0.1221  0.0000  0.5568  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.1220  0.5000  0.0480  1.0
  Tl  Tl4  2  0.0000  0.5000  0.5000  1.0
]