data_Be2TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.23
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcB
_chemical_formula_sum   'Be2 Tc1 B1'
_cell_volume   36.41
_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
  Be  Be1  1  0.56  0.61  0.0  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.61  0.81  1.0
  B  B0  1  0.56  0.0  0.81  1.0

data_Be2TcB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.23
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcB
_chemical_formula_sum   'Be2 Tc1 B1'
_cell_volume   36.41
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.56  0.61  -0.0  1.0
  Tc  Tc2  1  0.0  0.61  0.81  1.0
  B  B3  1  0.56  0.0  0.81  1.0

Be Be Tc B
Be Be Tc B 0 2 + o - 0 3 o + - 1 3 - o - 1 2 o - - 