data_Li2TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcB
_chemical_formula_sum   'Li2 Tc1 B1'
_cell_volume   42.61
_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
  Li  Li1  1  0.0  0.57  0.15  1.0
  Li  Li2  1  0.57  0.0  0.15  1.0
  Tc  Tc3  1  0.57  0.57  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Li2TcB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TcB
_chemical_formula_sum   'Li4 Tc2 B2'
_cell_volume   85.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  4  0.29  0.29  0.15  1.0
  Tc  Tc1  2  0.07  0.5  0.0  1.0
  B  B2  2  0.0  0.0  0.0  1.0

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