data_[Li6Zr2Ti2]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4523]
_cell_length_b [6.4523]
_cell_length_c [4.7848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Li3ZrTi]
_chemical_formula_sum '[Li6 Zr2 Ti2]'
_cell_volume [172.5155]
_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  6  0.2058  0.4116  0.2500  1
  Zr  Zr1  2  0.3333  0.6667  0.7500  1
  Ti  Ti2  2  0.0000  0.0000  0.2500  1
]