data_[Li4Er6Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [10.9308]
_cell_length_b [4.9153]
_cell_length_c [9.3628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Er3Tl4]
_chemical_formula_sum '[Li4 Er6 Tl8]'
_cell_volume [440.8340]
_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
[
  Li  Li0  4  0.1172  0.5000  0.2914  1.0
  Er  Er1  4  0.1606  0.5000  0.6610  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.0610  0.0000  0.3799  1.0
  Tl  Tl4  4  0.2266  0.5000  0.0835  1.0
]