data_BaV2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   123.59
_cell_angle_beta   118.62
_cell_angle_gamma   88.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Pb
_chemical_formula_sum   'Ba1 V2 Pb1'
_cell_volume   102.57
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.5  0.0  0.99  1.0
  V  V3  1  0.0  0.7  0.81  1.0
  Pb  Pb1  1  0.0  0.0  0.8  1.0

data_BaV2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   61.38
_cell_angle_beta   61.8
_cell_angle_gamma   61.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Pb
_chemical_formula_sum   'Ba1 V2 Pb1'
_cell_volume   102.57
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.5  0.99  1.0
  V  V2  1  0.7  0.0  0.11  1.0
  Pb  Pb3  1  0.0  0.0  0.8  1.0

Ba V V Pb