data_LiIn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   123.2
_cell_angle_beta   121.49
_cell_angle_gamma   85.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIn2Cu
_chemical_formula_sum   'Li1 In2 Cu1'
_cell_volume   71.99
_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  Li3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.31  0.72  1.0
  In  In2  1  0.25  0.0  0.74  1.0
  Cu  Cu0  1  0.0  0.0  0.46  1.0

data_LiIn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.62
_cell_length_c   4.73
_cell_angle_alpha   119.26
_cell_angle_beta   118.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIn2Cu
_chemical_formula_sum   'Li1 In2 Cu1'
_cell_volume   71.99
_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
  In  In1  1  0.0  0.74  0.49  1.0
  In  In2  1  0.69  0.4  0.4  1.0
  Cu  Cu3  1  0.0  0.46  0.46  1.0

Li In In Cu
Li In In Cu 0 1 o o - 0 3 o o - 0 3 o o o 0 2 o o - 1 3 o o o 2 3 o o o 