data_[Ce22Tl18Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.4283]
_cell_length_b [21.8692]
_cell_length_c [3.7200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce11Tl9Cu4]
_chemical_formula_sum '[Ce22 Tl18 Cu8]'
_cell_volume [1255.1412]
_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  0.2451  0.1850  0.0000  1
  Ce  Ce1  4  0.0000  0.1501  0.0000  1
  Ce  Ce2  4  0.0000  0.3713  0.0000  1
  Ce  Ce3  4  0.1886  0.5000  0.0000  1
  Ce  Ce4  2  0.0000  0.0000  0.0000  1
  Tl  Tl5  8  0.0996  0.2602  0.5000  1
  Tl  Tl6  8  0.1531  0.0741  0.5000  1
  Tl  Tl7  2  0.0000  0.5000  0.5000  1
  Cu  Cu8  8  0.1508  0.3958  0.5000  1
]