data_VP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.28
_cell_angle_alpha   109.24
_cell_angle_beta   109.24
_cell_angle_gamma   40.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP2Pd
_chemical_formula_sum   'V1 P2 Pd1'
_cell_volume   57.13
_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
  V  V3  1  0.0  0.0  0.0  1.0
  P  P0  1  0.62  0.0  0.92  1.0
  P  P1  1  0.4  0.0  0.02  1.0
  Pd  Pd2  1  0.01  0.0  0.47  1.0

data_VP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.2
_cell_length_c   5.28
_cell_angle_alpha   109.24
_cell_angle_beta   90.0
_cell_angle_gamma   110.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP2Pd
_chemical_formula_sum   'V1 P2 Pd1'
_cell_volume   57.13
_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
  V  V0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.38  0.08  1.0
  P  P2  1  0.0  0.6  0.98  1.0
  Pd  Pd3  1  0.0  0.99  0.53  1.0

V P P Pd
V P P Pd 0 1 - o - 0 2 o o o 0 3 o o o 0 3 o o - 1 2 o o + 1 3 + o + 1 3 + o o 1 3 o o o 2 3 + o o 2 3 o o o 2 3 o o - 3 3 + - o 