data_Ta2VPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   142.38
_cell_angle_beta   127.87
_cell_angle_gamma   66.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VPd
_chemical_formula_sum   'Ta2 V1 Pd1'
_cell_volume   65.35
_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  0.66  0.0  0.1  1.0
  Ta  Ta2  1  0.0  0.27  0.23  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.33  1.0

data_Ta2VPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.54
_cell_length_c   5.16
_cell_angle_alpha   116.06
_cell_angle_beta   108.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VPd
_chemical_formula_sum   'Ta2 V1 Pd1'
_cell_volume   65.35
_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  0.0  0.1  0.44  1.0
  Ta  Ta1  1  0.73  0.96  0.96  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.33  0.33  1.0

Ta Ta V Pd