data_BeVPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   148.64
_cell_angle_beta   139.06
_cell_angle_gamma   52.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVPb2
_chemical_formula_sum   'Be1 V1 Pb2'
_cell_volume   86.43
_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
  Be  Be0  1  0.0  0.0  0.9  1.0
  V  V3  1  0.0  0.22  0.49  1.0
  Pb  Pb1  1  0.0  0.22  0.66  1.0
  Pb  Pb2  1  0.0  0.0  0.01  1.0

data_BeVPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.43
_cell_length_c   6.34
_cell_angle_alpha   110.47
_cell_angle_beta   105.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVPb2
_chemical_formula_sum   'Be1 V1 Pb2'
_cell_volume   86.43
_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
  Be  Be0  1  0.1  0.1  0.1  1.0
  V  V1  1  0.51  0.73  0.73  1.0
  Pb  Pb2  1  0.34  0.56  0.56  1.0
  Pb  Pb3  1  0.99  0.99  0.99  1.0

Be V Pb Pb
Be V Pb Pb 0 3 o o + 1 2 o o o 