data_VGaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaPd
_chemical_formula_sum   'V1 Ga1 Pd1'
_cell_volume   44.01
_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  V2  1  0.0  0.0  0.81  1.0
  Ga  Ga0  1  1.0  0.5  0.37  1.0
  Pd  Pd1  1  0.17  0.25  0.53  1.0

data_VGaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaPd
_chemical_formula_sum   'V1 Ga1 Pd1'
_cell_volume   44.01
_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  0.81  0.0  0.0  1.0
  Ga  Ga1  1  0.37  1.0  0.5  1.0
  Pd  Pd2  1  0.53  0.17  0.25  1.0

V Ga Pd
V Ga Pd 0 2 o o o 1 2 + o o 