data_LiYPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   5.33
_cell_angle_alpha   106.89
_cell_angle_beta   106.89
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYPb2
_chemical_formula_sum   'Li1 Y1 Pb2'
_cell_volume   108.64
_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  0.61  0.0  0.92  1.0
  Y  Y3  1  0.14  0.0  0.95  1.0
  Pb  Pb1  1  0.75  0.0  0.36  1.0
  Pb  Pb2  1  0.92  0.0  0.39  1.0

data_LiYPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.33
_cell_length_c   6.23
_cell_angle_alpha   106.89
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYPb2
_chemical_formula_sum   'Li1 Y1 Pb2'
_cell_volume   108.64
_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  0.92  0.61  1.0
  Y  Y1  1  0.0  0.95  0.14  1.0
  Pb  Pb2  1  0.0  0.36  0.75  1.0
  Pb  Pb3  1  0.0  0.39  0.92  1.0

Li Y Pb Pb