data_TaGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.27
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   102.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGePd2
_chemical_formula_sum   'Ta1 Ge1 Pd2'
_cell_volume   64.3
_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  0.85  0.0  0.63  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.22  0.14  0.29  1.0
  Pd  Pd2  1  0.47  0.14  0.96  1.0

data_TaGePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.27
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   102.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGePd2
_chemical_formula_sum   'Ta1 Ge1 Pd2'
_cell_volume   64.3
_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  0.85  0.0  0.63  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.22  0.14  0.29  1.0
  Pd  Pd3  1  0.47  0.14  0.96  1.0

Ta Ge Pd Pd
Ta Ge Pd Pd 0 2 o o o 0 2 + o o 0 3 o o o 0 3 + o o 0 1 + o + 1 3 - o - 1 3 o o - 1 2 o o o 