data_Li2YZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   3.29
_cell_angle_alpha   104.43
_cell_angle_beta   104.43
_cell_angle_gamma   122.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YZn
_chemical_formula_sum   'Li2 Y1 Zn1'
_cell_volume   90.37
_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  0.63  0.71  0.4  1.0
  Li  Li1  1  0.63  0.29  0.4  1.0
  Y  Y2  1  0.97  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_Li2YZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.07
_cell_length_c   6.18
_cell_angle_alpha   113.55
_cell_angle_beta   104.43
_cell_angle_gamma   92.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YZn
_chemical_formula_sum   'Li2 Y1 Zn1'
_cell_volume   90.37
_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  0.12  0.71  0.34  1.0
  Li  Li1  1  0.69  0.29  0.92  1.0
  Y  Y2  1  0.0  0.0  0.97  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Li Li Y Zn
Li Li Y Zn 0 3 + + + 0 2 o + + 0 1 o o o 0 1 o + o 1 3 o o o 1 3 + + + 1 2 - o o 1 2 o + + 1 1 o o + 2 3 + o o 