data_ZrV2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   140.01
_cell_angle_beta   128.43
_cell_angle_gamma   67.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Pb
_chemical_formula_sum   'Zr1 V2 Pb1'
_cell_volume   74.19
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  V  V1  1  0.82  0.0  0.16  1.0
  V  V2  1  0.0  0.31  0.27  1.0
  Pb  Pb0  1  0.0  0.0  0.42  1.0

data_ZrV2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.62
_cell_length_c   5.31
_cell_angle_alpha   115.78
_cell_angle_beta   110.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Pb
_chemical_formula_sum   'Zr1 V2 Pb1'
_cell_volume   74.19
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.66  0.84  0.66  1.0
  V  V2  1  0.73  0.04  0.04  1.0
  Pb  Pb3  1  0.58  0.58  0.58  1.0

Zr V V Pb