data_Tc2GePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.04
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   101.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GePd
_chemical_formula_sum   'Tc2 Ge1 Pd1'
_cell_volume   59.88
_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
  Tc  Tc2  1  0.98  0.0  0.11  1.0
  Tc  Tc3  1  0.43  0.02  0.26  1.0
  Ge  Ge0  1  0.49  0.0  0.67  1.0
  Pd  Pd1  1  0.33  0.02  0.87  1.0

data_Tc2GePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.04
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   101.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GePd
_chemical_formula_sum   'Tc2 Ge1 Pd1'
_cell_volume   59.88
_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
  Tc  Tc0  1  0.43  0.02  0.26  1.0
  Tc  Tc1  1  0.98  0.0  0.11  1.0
  Ge  Ge2  1  0.49  0.0  0.67  1.0
  Pd  Pd3  1  0.33  0.02  0.87  1.0

Tc Tc Ge Pd
Tc Tc Ge Pd 0 1 + o o 2 3 o o o 