data_SrLi2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.28
_cell_angle_alpha   108.32
_cell_angle_beta   108.32
_cell_angle_gamma   39.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Cu
_chemical_formula_sum   'Sr1 Li2 Cu1'
_cell_volume   97.89
_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
  Sr  Sr3  1  0.38  0.0  0.49  1.0
  Li  Li1  1  0.64  0.0  0.2  1.0
  Li  Li2  1  0.12  0.0  0.78  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_SrLi2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.28
_cell_length_c   5.58
_cell_angle_alpha   108.32
_cell_angle_beta   109.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Cu
_chemical_formula_sum   'Sr1 Li2 Cu1'
_cell_volume   97.89
_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
  Sr  Sr0  1  0.0  0.49  0.38  1.0
  Li  Li1  1  0.0  0.2  0.64  1.0
  Li  Li2  1  0.0  0.78  0.12  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

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