data_TcGe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   122.4
_cell_angle_beta   122.4
_cell_angle_gamma   85.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe2Pd
_chemical_formula_sum   'Tc1 Ge2 Pd1'
_cell_volume   60.19
_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  0.15  0.0  0.63  1.0
  Ge  Ge1  1  0.0  0.15  0.63  1.0
  Pd  Pd2  1  0.0  0.0  0.26  1.0

data_TcGe2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   132.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcGe2Pd
_chemical_formula_sum   'Tc2 Ge4 Pd2'
_cell_volume   120.37
_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  4  0.43  0.43  0.48  1.0
  Pd  Pd2  2  0.0  0.0  0.26  1.0

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