data_[Ce4Er8Tl8]
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 [C2/m]
_cell_length_a [11.9410]
_cell_length_b [5.1756]
_cell_length_c [9.2874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(ErTl)2]
_chemical_formula_sum '[Ce4 Er8 Tl8]'
_cell_volume [561.7996]
_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  4  0.0490  0.0000  0.8756  1
  Er  Er1  4  0.0714  0.5000  0.3664  1
  Er  Er2  4  0.2420  0.5000  0.7466  1
  Tl  Tl3  4  0.1339  0.0000  0.5560  1
  Tl  Tl4  4  0.1449  0.5000  0.0631  1
]