data_TcGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.61
_cell_angle_alpha   104.98
_cell_angle_beta   104.98
_cell_angle_gamma   41.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe2Au
_chemical_formula_sum   'Tc1 Ge2 Au1'
_cell_volume   66.27
_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  0.81  0.0  0.68  1.0
  Ge  Ge1  1  0.86  0.0  0.12  1.0
  Ge  Ge2  1  0.26  0.0  0.94  1.0
  Au  Au0  1  0.42  0.0  0.9  1.0

data_TcGe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.61
_cell_length_c   4.76
_cell_angle_alpha   104.98
_cell_angle_beta   110.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGe2Au
_chemical_formula_sum   'Tc1 Ge2 Au1'
_cell_volume   66.27
_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  0.0  0.68  0.81  1.0
  Ge  Ge1  1  0.0  0.12  0.86  1.0
  Ge  Ge2  1  0.0  0.94  0.26  1.0
  Au  Au3  1  0.0  0.9  0.42  1.0

Tc Ge Ge Au