data_Li2CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   3.85
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuSi
_chemical_formula_sum   'Li2 Cu1 Si1'
_cell_volume   53.2
_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  0.35  1.0
  Li  Li2  1  0.28  0.93  0.4  1.0
  Cu  Cu0  1  0.28  0.93  0.94  1.0
  Si  Si3  1  0.0  0.0  0.79  1.0

data_Li2CuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   3.85
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuSi
_chemical_formula_sum   'Li2 Cu1 Si1'
_cell_volume   53.2
_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  0.35  1.0
  Li  Li1  1  0.28  0.93  0.4  1.0
  Si  Si2  1  0.0  0.0  0.79  1.0
  Cu  Cu3  1  0.28  0.93  0.94  1.0

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