data_VAg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79
_cell_length_b   9.79
_cell_length_c   9.79
_cell_angle_alpha   18.5
_cell_angle_beta   18.5
_cell_angle_gamma   18.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAg2Pb
_chemical_formula_sum   'V1 Ag2 Pb1'
_cell_volume   82.52
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.48  1.0
  Ag  Ag1  1  0.0  0.0  0.37  1.0
  Pb  Pb2  1  0.0  0.0  0.43  1.0

data_VAg2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   3.15
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   100.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VAg2Pb
_chemical_formula_sum   'V2 Ag4 Pb2'
_cell_volume   165.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  V  V0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.52  1.0
  Ag  Ag2  2  0.0  0.0  0.63  1.0
  Pb  Pb3  2  0.0  0.0  0.57  1.0

V Ag Ag Pb
V Ag Ag Pb 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 1 3 o o o 2 3 o o o 