data_LiV2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Pb
_chemical_formula_sum   'Li1 V2 Pb1'
_cell_volume   68.97
_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
  V  V2  1  0.83  0.0  0.36  1.0
  V  V3  1  0.83  0.0  0.95  1.0
  Pb  Pb1  1  0.0  0.0  0.15  1.0

data_LiV2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Pb
_chemical_formula_sum   'Li1 V2 Pb1'
_cell_volume   68.97
_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
  V  V1  1  0.83  0.0  0.36  1.0
  V  V2  1  0.83  0.0  0.95  1.0
  Pb  Pb3  1  0.0  0.0  0.15  1.0

Li V V Pb