data_LiY2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   5.08
_cell_angle_alpha   113.32
_cell_angle_beta   113.32
_cell_angle_gamma   35.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Pb
_chemical_formula_sum   'Li1 Y2 Pb1'
_cell_volume   107.29
_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  0.25  0.0  0.4  1.0
  Y  Y2  1  0.89  0.0  0.57  1.0
  Y  Y3  1  0.6  0.0  0.21  1.0
  Pb  Pb1  1  0.14  0.0  0.35  1.0

data_LiY2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   5.08
_cell_length_c   6.33
_cell_angle_alpha   113.32
_cell_angle_beta   107.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Pb
_chemical_formula_sum   'Li1 Y2 Pb1'
_cell_volume   107.29
_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  0.4  0.25  1.0
  Y  Y1  1  0.0  0.21  0.6  1.0
  Y  Y2  1  0.0  0.57  0.89  1.0
  Pb  Pb3  1  0.0  0.35  0.14  1.0

Li Y Y Pb
Li Y Y Pb 0 3 o o o 1 2 o o o 1 3 + o o 