data_Ta4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   95.79
_cell_angle_beta   95.79
_cell_angle_gamma   142.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4Pd
_chemical_formula_sum   'Ta4 Pd1'
_cell_volume   88.69
_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  0.41  0.32  0.0  1.0
  Ta  Ta2  1  0.19  0.28  0.71  1.0
  Ta  Ta3  1  0.89  0.41  0.0  1.0
  Ta  Ta4  1  0.72  0.19  0.71  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Ta4Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   84.21
_cell_angle_beta   71.48
_cell_angle_gamma   71.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4Pd
_chemical_formula_sum   'Ta4 Pd1'
_cell_volume   88.69
_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  0.32  -0.0  0.09  1.0
  Ta  Ta1  1  0.41  -0.0  0.47  1.0
  Ta  Ta2  1  0.48  0.71  0.53  1.0
  Ta  Ta3  1  0.58  0.71  0.91  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0

Ta Ta Ta Ta Pd