data_TaV2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.41
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Pb
_chemical_formula_sum   'Ta1 V2 Pb1'
_cell_volume   73.08
_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  Ta1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.91  0.2  0.07  1.0
  V  V3  1  0.88  0.2  0.45  1.0
  Pb  Pb0  1  0.89  0.0  0.76  1.0

data_TaV2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.41
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Pb
_chemical_formula_sum   'Ta1 V2 Pb1'
_cell_volume   73.08
_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  0.0  0.0  1.0
  V  V1  1  0.88  0.2  0.45  1.0
  V  V2  1  0.91  0.2  0.07  1.0
  Pb  Pb3  1  0.89  0.0  0.76  1.0

Ta V V Pb
Ta V V Pb 0 1 - o o 0 3 - o - 1 2 o o o 2 3 o o o 