data_Li2ZrTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   133.88
_cell_angle_beta   133.88
_cell_angle_gamma   67.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrTi
_chemical_formula_sum   'Li2 Zr1 Ti1'
_cell_volume   71.72
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.04  0.0  0.16  1.0
  Zr  Zr3  1  0.0  0.04  0.16  1.0
  Ti  Ti2  1  0.0  0.0  0.33  1.0

data_Li2ZrTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.2
_cell_angle_alpha   113.06
_cell_angle_beta   113.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrTi
_chemical_formula_sum   'Li2 Zr1 Ti1'
_cell_volume   71.72
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.84  0.0  0.87  1.0
  Zr  Zr2  1  0.87  0.04  0.87  1.0
  Ti  Ti3  1  0.67  0.0  0.67  1.0

Li Li Zr Ti