data_TcGe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15
_cell_length_b   8.15
_cell_length_c   8.15
_cell_angle_alpha   21.26
_cell_angle_beta   21.26
_cell_angle_gamma   21.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe2Pd
_chemical_formula_sum   'Tc1 Ge2 Pd1'
_cell_volume   62.44
_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  Tc3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.84  1.0
  Ge  Ge1  1  0.0  0.0  0.06  1.0
  Pd  Pd2  1  0.0  0.0  0.95  1.0

data_TcGe2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   3.01
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   102.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcGe2Pd
_chemical_formula_sum   'Tc2 Ge4 Pd2'
_cell_volume   124.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.16  1.0
  Ge  Ge2  2  0.0  0.0  0.94  1.0
  Pd  Pd3  2  0.0  0.0  0.05  1.0

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