data_V2CuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   147.13
_cell_angle_beta   127.2
_cell_angle_gamma   63.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuPd
_chemical_formula_sum   'V2 Cu1 Pd1'
_cell_volume   55.23
_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  0.11  1.0
  V  V3  1  0.43  0.0  0.06  1.0
  Cu  Cu0  1  0.0  0.0  0.23  1.0
  Pd  Pd1  1  0.0  0.25  0.19  1.0

data_V2CuPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.5
_cell_length_c   5.06
_cell_angle_alpha   116.4
_cell_angle_beta   106.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuPd
_chemical_formula_sum   'V2 Cu1 Pd1'
_cell_volume   55.23
_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  0.37  0.94  0.37  1.0
  V  V1  1  0.89  0.89  0.89  1.0
  Cu  Cu2  1  0.77  0.77  0.77  1.0
  Pd  Pd3  1  0.81  0.05  0.05  1.0

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