data_LiY2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   137.26
_cell_angle_beta   137.26
_cell_angle_gamma   62.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Zn
_chemical_formula_sum   'Li1 Y2 Zn1'
_cell_volume   96.1
_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
  Y  Y1  1  0.17  0.0  0.55  1.0
  Y  Y2  1  0.0  0.0  0.1  1.0
  Zn  Zn3  1  0.0  0.17  0.55  1.0

data_LiY2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.95
_cell_angle_alpha   111.37
_cell_angle_beta   111.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Zn
_chemical_formula_sum   'Li1 Y2 Zn1'
_cell_volume   96.1
_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
  Y  Y1  1  0.45  0.0  0.62  1.0
  Y  Y2  1  0.9  0.0  0.9  1.0
  Zn  Zn3  1  0.62  0.17  0.62  1.0

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