data_TcHg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   5.56
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   92.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Ge
_chemical_formula_sum   'Tc1 Hg2 Ge1'
_cell_volume   77.84
_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  0.37  0.0  0.38  1.0
  Hg  Hg1  1  0.69  0.78  0.2  1.0
  Hg  Hg2  1  0.05  0.78  0.57  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_TcHg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.77
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Ge
_chemical_formula_sum   'Tc1 Hg2 Ge1'
_cell_volume   77.84
_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  0.63  0.62  0.0  1.0
  Hg  Hg1  1  0.31  0.8  0.22  1.0
  Hg  Hg2  1  0.95  0.43  0.22  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Tc Hg Hg Ge