data_Y2VPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   145.87
_cell_angle_beta   131.87
_cell_angle_gamma   60.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2VPb
_chemical_formula_sum   'Y2 V1 Pb1'
_cell_volume   103.82
_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
  Y  Y2  1  0.85  0.0  0.23  1.0
  Y  Y3  1  0.0  0.0  0.1  1.0
  V  V1  1  0.0  0.0  0.85  1.0
  Pb  Pb0  1  0.85  0.0  0.17  1.0

data_Y2VPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.14
_cell_length_c   6.31
_cell_angle_alpha   114.06
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2VPb
_chemical_formula_sum   'Y2 V1 Pb1'
_cell_volume   103.82
_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
  Y  Y0  1  0.62  0.77  0.62  1.0
  Y  Y1  1  0.9  0.9  0.9  1.0
  V  V2  1  0.15  0.15  0.15  1.0
  Pb  Pb3  1  0.68  0.83  0.68  1.0

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