data_Li2TiCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   139.54
_cell_angle_beta   124.78
_cell_angle_gamma   70.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCu
_chemical_formula_sum   'Li2 Ti1 Cu1'
_cell_volume   59.91
_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  Li1  1  0.0  0.0  0.88  1.0
  Li  Li2  1  0.68  0.0  0.86  1.0
  Ti  Ti3  1  0.0  0.0  0.04  1.0
  Cu  Cu0  1  0.0  0.25  0.07  1.0

data_Li2TiCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.5
_cell_length_c   4.86
_cell_angle_alpha   117.61
_cell_angle_beta   110.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCu
_chemical_formula_sum   'Li2 Ti1 Cu1'
_cell_volume   59.91
_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  0.12  0.12  0.12  1.0
  Li  Li1  1  0.82  0.14  0.82  1.0
  Ti  Ti2  1  0.96  0.96  0.96  1.0
  Cu  Cu3  1  0.93  0.18  0.18  1.0

Li Li Ti Cu