data_VCuPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuPd2
_chemical_formula_sum   'V1 Cu1 Pd2'
_cell_volume   56.37
_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
  Cu  Cu0  1  0.77  0.0  0.0  1.0
  Pd  Pd1  1  0.39  0.14  0.37  1.0
  Pd  Pd2  1  0.39  0.86  0.37  1.0

data_VCuPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   106.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuPd2
_chemical_formula_sum   'V1 Cu1 Pd2'
_cell_volume   56.37
_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
  Cu  Cu1  1  -0.0  0.77  0.0  1.0
  Pd  Pd2  1  0.37  0.39  0.14  1.0
  Pd  Pd3  1  0.37  0.39  0.86  1.0

V Cu Pd Pd
V Cu Pd Pd 0 1 - o o 2 3 o - o 