data_VMoPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11
_cell_length_b   9.11
_cell_length_c   9.11
_cell_angle_alpha   20.4
_cell_angle_beta   20.4
_cell_angle_gamma   20.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMoPb2
_chemical_formula_sum   'V1 Mo1 Pb2'
_cell_volume   80.45
_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
  Mo  Mo0  1  0.0  0.0  0.38  1.0
  Pb  Pb1  1  0.0  0.0  0.06  1.0
  Pb  Pb2  1  0.0  0.0  0.7  1.0

data_VMoPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   3.23
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   101.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VMoPb2
_chemical_formula_sum   'V2 Mo2 Pb4'
_cell_volume   160.89
_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
  Mo  Mo1  2  0.0  0.0  0.62  1.0
  Pb  Pb2  2  0.0  0.0  0.3  1.0
  Pb  Pb3  2  0.0  0.0  0.94  1.0

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