data_VSiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   149.05
_cell_angle_beta   129.06
_cell_angle_gamma   60.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiPd2
_chemical_formula_sum   'V1 Si1 Pd2'
_cell_volume   56.66
_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  0.4  0.0  0.48  1.0
  Si  Si2  1  0.0  0.0  0.52  1.0
  Pd  Pd0  1  0.0  0.0  0.05  1.0
  Pd  Pd1  1  0.0  0.25  0.98  1.0

data_VSiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.5
_cell_length_c   5.23
_cell_angle_alpha   115.47
_cell_angle_beta   105.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiPd2
_chemical_formula_sum   'V1 Si1 Pd2'
_cell_volume   56.66
_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  0.91  0.52  0.91  1.0
  Si  Si1  1  0.48  0.48  0.48  1.0
  Pd  Pd2  1  0.02  0.27  0.27  1.0
  Pd  Pd3  1  0.95  0.95  0.95  1.0

V Si Pd Pd