data_VRePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRePd2
_chemical_formula_sum   'V1 Re1 Pd2'
_cell_volume   58.4
_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
  Re  Re2  1  0.68  0.0  0.0  1.0
  Pd  Pd0  1  0.34  0.03  0.34  1.0
  Pd  Pd1  1  0.34  0.97  0.34  1.0

data_VRePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   113.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRePd2
_chemical_formula_sum   'V1 Re1 Pd2'
_cell_volume   58.4
_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
  Re  Re1  1  0.0  0.68  0.0  1.0
  Pd  Pd2  1  0.34  0.34  0.03  1.0
  Pd  Pd3  1  0.34  0.34  0.97  1.0

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