data_TiVPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   20.66
_cell_angle_beta   20.66
_cell_angle_gamma   20.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVPb2
_chemical_formula_sum   'Ti1 V1 Pb2'
_cell_volume   87.56
_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
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.64  1.0
  Pb  Pb0  1  0.0  0.0  0.5  1.0
  Pb  Pb1  1  0.0  0.0  0.78  1.0

data_TiVPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   3.33
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   101.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiVPb2
_chemical_formula_sum   'Ti2 V2 Pb4'
_cell_volume   175.13
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  V  V1  2  -0.0  0.0  0.36  1.0
  Pb  Pb2  2  -0.0  0.0  0.5  1.0
  Pb  Pb3  2  -0.0  0.0  0.22  1.0

Ti V Pb Pb