data_TcGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   8.69
_cell_angle_alpha   20.08
_cell_angle_beta   20.08
_cell_angle_gamma   20.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe2Au
_chemical_formula_sum   'Tc1 Ge2 Au1'
_cell_volume   67.58
_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  Ge1  1  0.0  0.0  0.9  1.0
  Ge  Ge2  1  0.0  0.0  0.62  1.0
  Au  Au0  1  0.0  0.0  0.76  1.0

data_TcGe2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   3.03
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   101.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcGe2Au
_chemical_formula_sum   'Tc2 Ge4 Au2'
_cell_volume   135.16
_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  0.1  1.0
  Ge  Ge2  2  0.0  0.0  0.38  1.0
  Au  Au3  2  0.0  0.0  0.24  1.0

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