data_Li2TiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   4.2
_cell_angle_alpha   109.74
_cell_angle_beta   109.74
_cell_angle_gamma   30.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiMo
_chemical_formula_sum   'Li2 Ti1 Mo1'
_cell_volume   63.73
_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  0.86  0.0  0.01  1.0
  Li  Li1  1  0.59  0.0  0.93  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.73  0.0  0.97  1.0

data_Li2TiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.2
_cell_length_c   5.66
_cell_angle_alpha   109.74
_cell_angle_beta   105.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiMo
_chemical_formula_sum   'Li2 Ti1 Mo1'
_cell_volume   63.73
_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  0.01  0.86  1.0
  Li  Li1  1  0.0  0.93  0.59  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.97  0.73  1.0

Li Li Ti Mo