data_[Li12Er2Tl12]
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 [Immm]
_cell_length_a [5.9154]
_cell_length_b [9.6304]
_cell_length_c [9.7342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li6ErTl6]
_chemical_formula_sum '[Li12 Er2 Tl12]'
_cell_volume [554.5339]
_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  8  0.2500  0.2500  0.2500  1
  Li  Li1  4  0.0000  0.2598  0.5000  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.0000  0.3373  1
  Tl  Tl4  4  0.0000  0.3372  0.0000  1
  Tl  Tl5  4  0.0000  0.5000  0.3261  1
]