data_[Li2Er4Tl6Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6004]
_cell_length_b [13.1953]
_cell_length_c [8.2104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiEr2(TlTe2)3]
_chemical_formula_sum '[Li2 Er4 Tl6 Te12]'
_cell_volume [783.5457]
_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  0.0000  0.0000  0.0000  1.0
  Er  Er1  4  0.0000  0.3335  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1710  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2388  0.1673  0.2167  1.0
  Te  Te5  4  0.2370  0.5000  0.2168  1.0
]