data_Ta2VPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   134.86
_cell_angle_beta   134.86
_cell_angle_gamma   65.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VPd
_chemical_formula_sum   'Ta2 V1 Pd1'
_cell_volume   66.0
_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
  Ta  Ta1  1  0.0  0.0  0.29  1.0
  Ta  Ta2  1  0.0  0.96  0.15  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.96  0.0  0.15  1.0

data_Ta2VPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.11
_cell_angle_alpha   112.57
_cell_angle_beta   112.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VPd
_chemical_formula_sum   'Ta2 V1 Pd1'
_cell_volume   66.0
_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
  Ta  Ta0  1  0.71  0.0  0.71  1.0
  Ta  Ta1  1  0.82  0.96  0.82  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.85  0.0  0.82  1.0

Ta Ta V Pd