data_LiCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   5.01
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   96.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuSn2
_chemical_formula_sum   'Li1 Cu1 Sn2'
_cell_volume   80.57
_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  0.94  0.0  0.06  1.0
  Cu  Cu0  1  0.21  0.5  0.64  1.0
  Sn  Sn2  1  0.67  0.5  0.35  1.0
  Sn  Sn3  1  0.29  0.0  0.49  1.0

data_LiCuSn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.2
_cell_length_b   5.01
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   96.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiCuSn2
_chemical_formula_sum   'Li1 Cu1 Sn2'
_cell_volume   80.57
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.94  0.0  0.06  1.0
  Cu  Cu1  1  0.21  0.5  0.64  1.0
  Sn  Sn2  1  0.29  0.0  0.49  1.0
  Sn  Sn3  1  0.67  0.5  0.35  1.0

Li Cu Sn Sn