data_Li2NbSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.19
_cell_angle_alpha   106.47
_cell_angle_beta   106.47
_cell_angle_gamma   30.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbSi
_chemical_formula_sum   'Li2 Nb1 Si1'
_cell_volume   63.64
_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  0.25  0.0  0.24  1.0
  Li  Li1  1  0.79  0.0  0.96  1.0
  Nb  Nb2  1  0.18  0.0  0.9  1.0
  Si  Si3  1  0.59  0.0  0.34  1.0

data_Li2NbSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   5.0
_cell_length_c   5.19
_cell_angle_alpha   106.47
_cell_angle_beta   90.0
_cell_angle_gamma   105.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbSi
_chemical_formula_sum   'Li2 Nb1 Si1'
_cell_volume   63.64
_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  0.21  0.04  1.0
  Li  Li1  1  0.0  0.75  0.76  1.0
  Nb  Nb2  1  0.0  0.82  0.1  1.0
  Si  Si3  1  0.0  0.41  0.66  1.0

Li Li Nb Si
Li Li Nb Si 0 2 o o - 0 3 o o o 0 1 - o - 1 3 o o + 1 1 + - o 1 2 + o o 