data_Tc2BSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   130.51
_cell_angle_beta   130.51
_cell_angle_gamma   72.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BSe
_chemical_formula_sum   'Tc2 B1 Se1'
_cell_volume   53.84
_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  0.0  0.0  0.68  1.0
  Tc  Tc3  1  0.0  0.91  0.84  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.91  0.0  0.84  1.0

data_Tc2BSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   4.57
_cell_angle_alpha   114.74
_cell_angle_beta   114.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BSe
_chemical_formula_sum   'Tc2 B1 Se1'
_cell_volume   53.84
_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  0.07  0.91  0.07  1.0
  Tc  Tc1  1  0.32  0.0  0.32  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.16  0.0  0.07  1.0

Tc Tc B Se