data_TcGeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.5
_cell_length_c   2.93
_cell_angle_alpha   83.82
_cell_angle_beta   74.11
_cell_angle_gamma   22.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcGeSe
_chemical_formula_sum   'Tc1 Ge1 Se1'
_cell_volume   56.28
_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  0.54  0.49  0.84  1.0
  Ge  Ge0  1  0.54  0.49  0.3  1.0
  Se  Se1  1  0.54  0.49  0.21  1.0

data_TcGeSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.08
_cell_length_b   14.68
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   121.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcGeSe
_chemical_formula_sum   'Tc2 Ge2 Se2'
_cell_volume   112.57
_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  0.13  0.0  0.62  1.0
  Ge  Ge1  2  0.17  0.5  0.16  1.0
  Se  Se2  2  0.25  0.5  0.25  1.0

Tc Ge Se