data_[Li2Zr4Tl4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  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 [7.1777]
_cell_length_b [12.3685]
_cell_length_c [8.5873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiZr2(TlTe3)2]
_chemical_formula_sum '[Li2 Zr4 Tl4 Te12]'
_cell_volume [732.0875]
_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  0.5000  1.0
  Zr  Zr1  4  0.0000  0.3324  0.5000  1.0
  Tl  Tl2  4  0.0000  0.1677  0.0000  1.0
  Te  Te3  8  0.2400  0.1688  0.7077  1.0
  Te  Te4  4  0.2273  0.5000  0.7050  1.0
]