data_Tc2GeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   4.0
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   99.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GeSe
_chemical_formula_sum   'Tc2 Ge1 Se1'
_cell_volume   67.28
_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  Tc2  1  0.22  0.0  0.31  1.0
  Tc  Tc3  1  0.95  0.0  0.16  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.08  0.0  0.73  1.0

data_Tc2GeSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.07
_cell_length_b   4.0
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   99.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tc2GeSe
_chemical_formula_sum   'Tc2 Ge1 Se1'
_cell_volume   67.28
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.22  0.0  0.31  1.0
  Tc  Tc1  1  0.95  0.0  0.16  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.08  0.0  0.73  1.0

Tc Tc Ge Se