data_[La2Er16Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [18.8426]
_cell_length_b [6.8204]
_cell_length_c [5.2979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(Er4Tl)2]
_chemical_formula_sum '[La2 Er16 Tl4]'
_cell_volume [680.0132]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1
  Er  Er1  8  0.1340  0.2612  0.7306  1
  Er  Er2  4  0.0472  0.5000  0.2402  1
  Er  Er3  4  0.1979  0.0000  0.2348  1
  Tl  Tl4  4  0.2131  0.5000  0.2472  1
]