data_LiCu2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2Si
_chemical_formula_sum   'Li1 Cu2 Si1'
_cell_volume   52.16
_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  Li2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.47  0.0  0.19  1.0
  Cu  Cu1  1  0.47  0.0  0.13  1.0
  Si  Si3  1  0.0  0.0  0.16  1.0

data_LiCu2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2Si
_chemical_formula_sum   'Li1 Cu2 Si1'
_cell_volume   52.16
_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  0.0  1.0
  Si  Si1  1  0.0  0.0  0.16  1.0
  Cu  Cu2  1  0.47  0.0  0.13  1.0
  Cu  Cu3  1  0.47  0.0  0.19  1.0

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