data_[Li6Zr2Ti4Te12]
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
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8620]
_cell_length_b [11.8359]
_cell_length_c [7.4870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Zr(TiTe3)2]
_chemical_formula_sum '[Li6 Zr2 Ti4 Te12]'
_cell_volume [579.4251]
_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  0.0000  0.1506  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr2  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti3  4  0.0000  0.3176  0.0000  1.0
  Te  Te4  8  0.2427  0.3297  0.7521  1.0
  Te  Te5  4  0.2258  0.5000  0.2301  1.0
]