data_LiCuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuSi
_chemical_formula_sum   'Li1 Cu1 Si1'
_cell_volume   39.53
_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  0.11  1.0
  Cu  Cu0  1  0.35  0.78  0.23  1.0
  Si  Si2  1  0.0  0.55  0.28  1.0

data_LiCuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuSi
_chemical_formula_sum   'Li1 Cu1 Si1'
_cell_volume   39.53
_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  0.11  1.0
  Si  Si1  1  0.0  0.55  0.28  1.0
  Cu  Cu2  1  0.35  0.78  0.23  1.0

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