data_TcHgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   4.09
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   107.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgB2
_chemical_formula_sum   'Tc1 Hg1 B2'
_cell_volume   53.55
_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  0.04  0.0  0.53  1.0
  Hg  Hg2  1  0.05  0.05  0.88  1.0
  B  B0  1  0.28  0.05  0.22  1.0
  B  B1  1  0.93  0.0  0.81  1.0

data_TcHgB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.81
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgB2
_chemical_formula_sum   'Tc1 Hg1 B2'
_cell_volume   53.55
_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  0.96  0.47  0.0  1.0
  Hg  Hg1  1  0.95  0.12  0.95  1.0
  B  B2  1  0.07  0.19  0.0  1.0
  B  B3  1  0.72  0.78  0.95  1.0

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