data_NaV2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.24
_cell_angle_alpha   109.16
_cell_angle_beta   109.16
_cell_angle_gamma   32.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Pb
_chemical_formula_sum   'Na1 V2 Pb1'
_cell_volume   81.25
_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
  Na  Na0  1  0.55  0.0  0.62  1.0
  V  V2  1  0.46  0.0  0.91  1.0
  V  V3  1  0.74  0.0  0.77  1.0
  Pb  Pb1  1  0.38  0.0  1.0  1.0

data_NaV2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.24
_cell_length_c   5.54
_cell_angle_alpha   109.16
_cell_angle_beta   106.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Pb
_chemical_formula_sum   'Na1 V2 Pb1'
_cell_volume   81.25
_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
  Na  Na0  1  0.0  0.62  0.55  1.0
  V  V1  1  0.0  0.77  0.74  1.0
  V  V2  1  0.0  0.91  0.46  1.0
  Pb  Pb3  1  0.0  1.0  0.38  1.0

Na V V Pb
Na V V Pb 0 2 o o o 1 3 o o o 