data_HfVPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVPb2
_chemical_formula_sum   'Hf1 V1 Pb2'
_cell_volume   98.54
_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
  Hf  Hf0  1  0.31  0.0  0.72  1.0
  V  V3  1  0.0  0.0  0.27  1.0
  Pb  Pb1  1  0.0  0.0  0.35  1.0
  Pb  Pb2  1  0.31  0.0  0.22  1.0

data_HfVPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfVPb2
_chemical_formula_sum   'Hf1 V1 Pb2'
_cell_volume   98.56
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Hf  Hf0  1  0.31  0.0  0.72  1.0
  V  V1  1  0.0  0.0  0.27  1.0
  Pb  Pb2  1  0.0  0.0  0.35  1.0
  Pb  Pb3  1  0.31  0.0  0.22  1.0

Hf V Pb Pb
Hf V Pb Pb 0 2 o o o 0 0 o + o 0 0 + o o 1 2 o o o 1 3 o o o 