data_TcBSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   3.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   136.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBSe2
_chemical_formula_sum   'Tc1 B1 Se2'
_cell_volume   77.79
_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  Tc3  1  0.08  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.08  0.24  0.79  1.0
  Se  Se2  1  0.08  0.76  0.79  1.0

data_TcBSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.15
_cell_length_c   5.63
_cell_angle_alpha   111.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBSe2
_chemical_formula_sum   'Tc1 B1 Se2'
_cell_volume   77.79
_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  0.0  0.0  0.08  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.79  0.24  0.32  1.0
  Se  Se3  1  0.79  0.76  0.83  1.0

Tc B Se Se
Tc B Se Se 0 1 o o o 0 2 o o - 0 3 o - - 1 2 o o - 1 3 o - - 