data_TaVPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   3.14
_cell_angle_alpha   101.45
_cell_angle_beta   101.45
_cell_angle_gamma   110.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVPb2
_chemical_formula_sum   'Ta1 V1 Pb2'
_cell_volume   83.99
_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
  Ta  Ta2  1  0.14  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.02  0.28  0.47  1.0
  Pb  Pb1  1  0.02  0.72  0.47  1.0

data_TaVPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   110.87
_cell_angle_beta   101.45
_cell_angle_gamma   101.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVPb2
_chemical_formula_sum   'Ta1 V1 Pb2'
_cell_volume   83.99
_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
  Ta  Ta0  1  -0.0  0.14  0.0  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.47  0.02  0.28  1.0
  Pb  Pb3  1  0.47  0.02  0.72  1.0

Ta V Pb Pb