data_Tc3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   146.66
_cell_angle_beta   129.71
_cell_angle_gamma   61.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc3Se
_chemical_formula_sum   'Tc3 Se1'
_cell_volume   58.8
_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  0.0  0.21  0.45  1.0
  Tc  Tc2  1  0.49  0.0  0.01  1.0
  Tc  Tc3  1  0.0  0.0  0.46  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Tc3Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.42
_cell_length_c   5.2
_cell_angle_alpha   115.15
_cell_angle_beta   106.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc3Se
_chemical_formula_sum   'Tc3 Se1'
_cell_volume   58.8
_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  0.48  0.99  0.48  1.0
  Tc  Tc1  1  0.54  0.54  0.54  1.0
  Tc  Tc2  1  0.55  0.76  0.76  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Tc Tc Tc Se