data_TaGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.0
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGePd2
_chemical_formula_sum   'Ta1 Ge1 Pd2'
_cell_volume   64.82
_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  Ta3  1  0.0  0.0  0.74  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.48  1.0  0.4  1.0
  Pd  Pd2  1  0.48  1.0  0.09  1.0

data_TaGePd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.96
_cell_length_b   4.0
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaGePd2
_chemical_formula_sum   'Ta1 Ge1 Pd2'
_cell_volume   64.82
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.74  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.48  0.0  0.09  1.0
  Pd  Pd3  1  0.48  0.0  0.4  1.0

Ta Ge Pd Pd