data_Tc2GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   130.44
_cell_angle_beta   130.44
_cell_angle_gamma   72.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GeTe
_chemical_formula_sum   'Tc2 Ge1 Te1'
_cell_volume   67.96
_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  Tc1  1  0.07  0.0  0.99  1.0
  Tc  Tc2  1  0.0  0.0  0.97  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.07  0.99  1.0

data_Tc2GeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   4.93
_cell_angle_alpha   114.78
_cell_angle_beta   114.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GeTe
_chemical_formula_sum   'Tc2 Ge1 Te1'
_cell_volume   67.96
_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  0.97  0.97  0.97  1.0
  Tc  Tc1  1  0.99  0.92  0.92  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.92  0.99  0.92  1.0

Tc Tc Ge Te