data_VTcPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   129.64
_cell_angle_beta   129.64
_cell_angle_gamma   73.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTcPd2
_chemical_formula_sum   'V1 Tc1 Pd2'
_cell_volume   58.29
_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
  Tc  Tc2  1  0.0  0.98  0.86  1.0
  Pd  Pd0  1  0.98  0.0  0.86  1.0
  Pd  Pd1  1  0.0  0.0  0.72  1.0

data_VTcPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   4.65
_cell_angle_alpha   115.18
_cell_angle_beta   115.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VTcPd2
_chemical_formula_sum   'V1 Tc1 Pd2'
_cell_volume   58.29
_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
  Tc  Tc1  1  0.88  0.86  0.88  1.0
  Pd  Pd2  1  0.72  0.72  0.72  1.0
  Pd  Pd3  1  0.86  0.88  0.88  1.0

V Tc Pd Pd