data_[Ce8Er8Tl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [17.5773]
_cell_length_b [9.1222]
_cell_length_c [6.4663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ce2Er2Tl5]
_chemical_formula_sum '[Ce8 Er8 Tl20]'
_cell_volume [1036.8189]
_cell_formula_units_Z [4]
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  0.0639  0.5805  0.0214  1
  Er  Er1  4  0.0000  0.0000  0.0219  1
  Er  Er2  4  0.2500  0.1800  0.0248  1
  Tl  Tl3  8  0.0905  0.2492  0.7721  1
  Tl  Tl4  8  0.1643  0.6285  0.5119  1
  Tl  Tl5  4  0.2500  0.5302  0.0065  1
]