data_TcSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   147.48
_cell_angle_beta   133.05
_cell_angle_gamma   58.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSe
_chemical_formula_sum   'Tc2 Se2'
_cell_volume   64.56
_cell_formula_units_Z   2
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  0.0  0.09  0.78  1.0
  Tc  Tc3  1  0.54  0.09  0.02  1.0
  Se  Se0  1  0.54  0.91  0.74  1.0
  Se  Se1  1  0.0  0.28  0.05  1.0

data_TcSe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.08
_cell_length_b   4.38
_cell_length_c   5.49
_cell_angle_alpha   113.48
_cell_angle_beta   106.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcSe
_chemical_formula_sum   'Tc2 Se2'
_cell_volume   64.56
_cell_formula_units_Z   2
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  2  0.5  0.38  0.65  1.0
  Se  Se1  2  0.31  0.47  0.74  1.0

Tc Tc Se Se