data_[Li2Er4Tl6]
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 [P-3m1]
_cell_length_a [5.2118]
_cell_length_b [5.2118]
_cell_length_c [12.8765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiEr2Tl3]
_chemical_formula_sum '[Li2 Er4 Tl6]'
_cell_volume [302.9046]
_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  2  0.3333  0.6667  0.6599  1
  Er  Er1  2  0.3333  0.6667  0.1748  1
  Er  Er2  1  0.0000  0.0000  0.0000  1
  Er  Er3  1  0.0000  0.0000  0.5000  1
  Tl  Tl4  2  0.0000  0.0000  0.2553  1
  Tl  Tl5  2  0.3333  0.6667  0.4193  1
  Tl  Tl6  2  0.3333  0.6667  0.9097  1
]